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

Systemtic Name: N-(4-methylphenyl)-4-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: 4-[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]-N-(p-tolyl)benzenesulfonamide CAS Name: N-(4-methylphenyl)-4-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]benzenesulfonamide IUPAC Name: N-(4-methylphenyl)-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide Traditional Name: 4-[3-keto-3-(4-methylpiperazino)propyl]-N-(p-tolyl)benzenesulfonamide Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H27N3O3S/c1-17-3-8-19(9-4-17)22-28(26,27)20-10-5-18(6-11-20)7-12-21(25)24-15-13-23(2)14-16-24/h3-6,8-11,22H,7,12-16H2,1-2H3