N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-[[phenyl(phenylsulfonyl)amino]methyl]benzamide

Systemtic Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-[[phenyl(phenylsulfonyl)amino]methyl]benzamide Openeye Name: 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)benzamide CAS Name: 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-[(N-besylanilino)methyl]-N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)benzamide Formula: C31H31N3O6S2 MolecularWeight: 605.72434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)C3=CC=C(C=C3)CN(C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)C3=CC=C(C=C3)CN(C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H31N3O6S2/c1-40-30-19-18-28(41(36,37)33-20-8-9-21-33)22-29(30)32-31(35)25-16-14-24(15-17-25)23-34(26-10-4-2-5-11-26)42(38,39)27-12-6-3-7-13-27/h2-7,10-19,22H,8-9,20-21,23H2,1H3,(H,32,35)