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

Systemtic Name: 4-phenyl-N-[3-[(4-propyl-1,4-diazepan-1-yl)carbonyl]phenyl]benzenesulfonamide Openeye Name: 4-phenyl-N-[3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]benzenesulfonamide CAS Name: N-[3-[oxo-(4-propyl-1,4-diazepan-1-yl)methyl]phenyl]-4-phenylbenzenesulfonamide IUPAC Name: 4-phenyl-N-[3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 4-phenyl-N-[3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]benzenesulfonamide Formula: C27H31N3O3S MolecularWeight: 477.61834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCN1CCCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S/c1-2-16-29-17-7-18-30(20-19-29)27(31)24-10-6-11-25(21-24)28-34(32,33)26-14-12-23(13-15-26)22-8-4-3-5-9-22/h3-6,8-15,21,28H,2,7,16-20H2,1H3