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ZINC00922575,ASN 04363885,N-(4-Methoxy-benzyl)-4-(pyrrolidine-1-sulfon

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摘 要:ZINC00922575,ASN 04363885,N-(4-Methoxy-benzyl)-4-(pyrrolidine-1-sulfonyl)-benzenesulfonamide, N-[(4-methoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide,Canonical SMILES: COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3,InChI: InC
[Synonyms]
ZINC00922575
ASN 04363885
N-(4-Methoxy-benzyl)-4-(pyrrolidine-1-sulfonyl)-benzenesulfonamide

[Structure]
ZINC00922575,ASN 04363885,N-(4-Methoxy-benzyl)-4-(pyrrolidine-1-sulfon

[ Properties Computed from Structure]
Molecular Weight410.50768 [g/mol]
Molecular FormulaC18H22N2O5S2
XLogP2.1
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count7
Exact Mass410.097013
MonoIsotopic Mass410.097013
Topological Polar Surface Area92.8
Heavy Atom Count27
Formal Charge0
Complexity662
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
Canonical SMILES: COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3
InChI: InChI=1/C18H22N2O5S2/c1-25-16-6-4-15(5-7-16)14-19-26(21,
22)17-8-10-18(11-9-17)27(23,24)20-12-2-3-13-20/h4-11,19H,2-3,12-14H2,1H3

 
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