[Synonyms]
[Structure]
![N'-(furan-2-ylmethyl)-N'-[(3-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-](/file/upload/dataimg/118/1176744.png)
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: N'-(furan-2-ylmethyl)-N'-[(3-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]
methyl]benzene-1,4-disulfonamide
Canonical SMILES: COC1=CC=CC(=C1)CN(CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4CCCO4
Isomeric SMILES: COC1=CC=CC(=C1)CN(CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)NC[C@H]
4CCCO4
InChI: InChI=1/C24H28N2O7S2/c1-31-20-6-2-5-19(15-20)17-26(18-22-8-4-14-33-22)35
(29,30)24-11-9-23(10-12-24)34(27,28)25-16-21-7-3-13-32-21/h2,4-6,8-12,
14-15,21,25H,3,7,13,16-18H2,1H3/t21-/m1/s1
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 520.61832 [g/mol] |
| Molecular Formula | C24H28N2O7S2 |
| XLogP | 2.3 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 9 |
| Rotatable Bond Count | 11 |
| Exact Mass | 520.133793 |
| MonoIsotopic Mass | 520.133793 |
| Topological Polar Surface Area | 115 |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 863 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 1 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: N'-(furan-2-ylmethyl)-N'-[(3-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]
methyl]benzene-1,4-disulfonamide
Canonical SMILES: COC1=CC=CC(=C1)CN(CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4CCCO4
Isomeric SMILES: COC1=CC=CC(=C1)CN(CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)NC[C@H]
4CCCO4
InChI: InChI=1/C24H28N2O7S2/c1-31-20-6-2-5-19(15-20)17-26(18-22-8-4-14-33-22)35
(29,30)24-11-9-23(10-12-24)34(27,28)25-16-21-7-3-13-32-21/h2,4-6,8-12,
14-15,21,25H,3,7,13,16-18H2,1H3/t21-/m1/s1
