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

Systemtic Name: N-[3-[(4-ethyl-1,4-diazepan-1-yl)carbonyl]phenyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[3-(4-ethyl-1,4-diazepane-1-carbonyl)phenyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[3-[(4-ethyl-1,4-diazepan-1-yl)-oxomethyl]phenyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[3-(4-ethyl-1,4-diazepane-1-carbonyl)phenyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[3-(4-ethyl-1,4-diazepane-1-carbonyl)phenyl]-3,4-dimethoxy-benzenesulfonamide Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCN1CCCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H29N3O5S/c1-4-24-11-6-12-25(14-13-24)22(26)17-7-5-8-18(15-17)23-31(27,28)19-9-10-20(29-2)21(16-19)30-3/h5,7-10,15-16,23H,4,6,11-14H2,1-3H3