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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-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)benzenesulfonamide CAS Name: N-(3-chloro-4-methylphenyl)-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)benzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(3-chloro-4-methyl-phenyl)benzenesulfonamide Formula: C26H29ClN3O3S+ MolecularWeight: 499.04476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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