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

Systemtic Name: N-[3-[(2-butyl-1,4-diazepan-1-yl)carbonyl]phenyl]-3-chloranyl-benzenesulfonamide Openeye Name: N-[3-(2-butyl-1,4-diazepane-1-carbonyl)phenyl]-3-chloro-benzenesulfonamide CAS Name: N-[3-[(2-butyl-1,4-diazepan-1-yl)-oxomethyl]phenyl]-3-chlorobenzenesulfonamide IUPAC Name: N-[3-(2-butyl-1,4-diazepane-1-carbonyl)phenyl]-3-chlorobenzenesulfonamide Traditional Name: N-[3-(2-butyl-1,4-diazepane-1-carbonyl)phenyl]-3-chloro-benzenesulfonamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CNCCCN1C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCC1CNCCCN1C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H28ClN3O3S/c1-2-3-10-20-16-24-12-6-13-26(20)22(27)17-7-4-9-19(14-17)25-30(28,29)21-11-5-8-18(23)15-21/h4-5,7-9,11,14-15,20,24-25H,2-3,6,10,12-13,16H2,1H3