N-[5-[(2-butyl-1,4-diazepan-1-yl)carbonyl]-2-methyl-phenyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[5-[(2-butyl-1,4-diazepan-1-yl)carbonyl]-2-methyl-phenyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[5-(2-butyl-1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[5-[(2-butyl-1,4-diazepan-1-yl)-oxomethyl]-2-methylphenyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[5-(2-butyl-1,4-diazepane-1-carbonyl)-2-methylphenyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[5-(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=CC(=C(C=C2)C)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O5S/c1-5-6-8-20-17-26-13-7-14-28(20)25(29)19-10-9-18(2)22(15-19)27-34(30,31)21-11-12-23(32-3)24(16-21)33-4/h9-12,15-16,20,26-27H,5-8,13-14,17H2,1-4H3