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

Systemtic Name: N-[3-[(2-heptan-4-yl-1,4-diazepan-1-yl)carbonyl]phenyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[3-[2-(1-propylbutyl)-1,4-diazepane-1-carbonyl]phenyl]benzenesulfonamide CAS Name: N-[3-[(2-heptan-4-yl-1,4-diazepan-1-yl)-oxomethyl]phenyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[3-(2-heptan-4-yl-1,4-diazepane-1-carbonyl)phenyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: 3,4-dimethoxy-N-[3-[2-(1-propylbutyl)-1,4-diazepane-1-carbonyl]phenyl]benzenesulfonamide Formula: C27H39N3O5S MolecularWeight: 517.68066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1CNCCCN1C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCC(CCC)C1CNCCCN1C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H39N3O5S/c1-5-9-20(10-6-2)24-19-28-15-8-16-30(24)27(31)21-11-7-12-22(17-21)29-36(32,33)23-13-14-25(34-3)26(18-23)35-4/h7,11-14,17-18,20,24,28-29H,5-6,8-10,15-16,19H2,1-4H3