3-(azepan-1-ylcarbonyl)-4-methoxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methoxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methoxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-methoxy-N-methyl-N-[4-(1-pyrrolidinyl)phenyl]benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methoxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-methoxy-N-methyl-N-(4-pyrrolidinophenyl)benzenesulfonamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)N2CCCC2)S(=O)(=O)C3=CC(=C(C=C3)OC)C(=O)N4CCCCCC4

Isomeric SMILES

CN(C1=CC=C(C=C1)N2CCCC2)S(=O)(=O)C3=CC(=C(C=C3)OC)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O4S/c1-26(20-9-11-21(12-10-20)27-15-7-8-16-27)33(30,31)22-13-14-24(32-2)23(19-22)25(29)28-17-5-3-4-6-18-28/h9-14,19H,3-8,15-18H2,1-2H3