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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O3S/c1-18-6-11-20(12-7-18)23-28(26,27)21-13-8-19(9-14-21)10-15-22(25)24-16-4-2-3-5-17-24/h6-9,11-14,23H,2-5,10,15-17H2,1H3