4-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 4-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: 4-[3-(azepan-1-yl)-3-oxo-propyl]-N-benzyl-benzenesulfonamide CAS Name: 4-[3-(1-azepanyl)-3-oxopropyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: 4-[3-(azepan-1-yl)-3-oxopropyl]-N-benzylbenzenesulfonamide Traditional Name: 4-[3-(azepan-1-yl)-3-keto-propyl]-N-benzyl-benzenesulfonamide Formula: C22H28N2O3S MolecularWeight: 400.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S/c25-22(24-16-6-1-2-7-17-24)15-12-19-10-13-21(14-11-19)28(26,27)23-18-20-8-4-3-5-9-20/h3-5,8-11,13-14,23H,1-2,6-7,12,15-18H2