N-(4-methylphenyl)-N-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]methanesulfonamide

Systemtic Name: N-(4-methylphenyl)-N-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]methanesulfonamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxo-butyl]-N-(p-tolyl)methanesulfonamide CAS Name: N-(4-methylphenyl)-N-[4-oxo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butyl]methanesulfonamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxobutyl]-N-(4-methylphenyl)methanesulfonamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-keto-butyl]-N-(p-tolyl)methanesulfonamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C23H31N3O3S/c1-20-10-12-22(13-11-20)26(30(2,28)29)14-6-9-23(27)25-17-15-24(16-18-25)19-21-7-4-3-5-8-21/h3-5,7-8,10-13H,6,9,14-19H2,1-2H3/p+1