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ZINC00923012 N-[(R)-(4-methoxyphenyl)-phenylmethyl]-4-morpholin-4-,yls

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摘 要:ZINC00923012 N-[(R)-(4-methoxyphenyl)-phenylmethyl]-4-morpholin-4-,ylsulfonylbenzenesulfonamide,Canonical SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4,Isomeric SMILES: COC1=CC=C(C=C1)[C@@H](C2=CC=CC=C2)NS(=O)(=O)C3=CC
[Synonyms]
ZINC00923012
[Structure]
ZINC00923012 N-[(R)-(4-methoxyphenyl)-phenylmethyl]-4-morpholin-4-,yls

[ Properties Computed from Structure]
Molecular Weight502.60304 [g/mol]
Molecular FormulaC24H26N2O6S2
XLogP2.8
H-Bond Donor1
H-Bond Acceptor8
Rotatable Bond Count8
Exact Mass502.123228
MonoIsotopic Mass502.123228
Topological Polar Surface Area102
Heavy Atom Count34
Formal Charge0
Complexity826
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-[(R)-(4-methoxyphenyl)-phenylmethyl]-4-morpholin-4-
ylsulfonylbenzenesulfonamide
Canonical SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4
Isomeric SMILES: COC1=CC=C(C=C1)[C@@H](C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)
N4CCOCC4
InChI: InChI=1/C24H26N2O6S2/c1-31-21-9-7-20(8-10-21)24(19-5-3-2-4-6-19)25-33
(27,28)22-11-13-23(14-12-22)34(29,30)26-15-17-32-18-16-26/h2-14,24-25H,
15-18H2,1H3/t24-/m1/s1

 
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