N-[3-[(2-butyl-1,4-diazepan-1-yl)carbonyl]-2-methyl-phenyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[3-[(2-butyl-1,4-diazepan-1-yl)carbonyl]-2-methyl-phenyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[3-(2-butyl-1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[3-[(2-butyl-1,4-diazepan-1-yl)-oxomethyl]-2-methylphenyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[3-(2-butyl-1,4-diazepane-1-carbonyl)-2-methylphenyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[3-(2-butyl-1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-3,4-dimethoxy-benzenesulfonamide Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CNCCCN1C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CCCCC1CNCCCN1C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C25H35N3O5S/c1-5-6-9-19-17-26-14-8-15-28(19)25(29)21-10-7-11-22(18(21)2)27-34(30,31)20-12-13-23(32-3)24(16-20)33-4/h7,10-13,16,19,26-27H,5-6,8-9,14-15,17H2,1-4H3