N-(3-chlorophenyl)-4-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide

Systemtic Name: N-(3-chlorophenyl)-4-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(3-chlorophenyl)-4-methyl-benzenesulfonamide CAS Name: N-(3-chlorophenyl)-4-methyl-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)-4-methylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(3-chlorophenyl)-4-methyl-benzenesulfonamide Formula: C26H29ClN3O3S+ MolecularWeight: 499.04476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H28ClN3O3S/c1-21-10-12-25(13-11-21)34(32,33)30(24-9-5-8-23(27)18-24)20-26(31)29-16-14-28(15-17-29)19-22-6-3-2-4-7-22/h2-13,18H,14-17,19-20H2,1H3/p+1