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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-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-chloro-4-methyl-phenyl)-4-methyl-benzenesulfonamide CAS Name: N-(3-chloro-4-methylphenyl)-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-chloro-4-methylphenyl)-4-methylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(3-chloro-4-methyl-phenyl)-4-methyl-benzenesulfonamide Formula: C27H31ClN3O3S+ MolecularWeight: 513.07134

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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(=C(C=C4)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClN3O3S/c1-21-8-12-25(13-9-21)35(33,34)31(24-11-10-22(2)26(28)18-24)20-27(32)30-16-14-29(15-17-30)19-23-6-4-3-5-7-23/h3-13,18H,14-17,19-20H2,1-2H3/p+1