4-chloranyl-N-(3,4-dimethylphenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(3,4-dimethylphenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-4-chloro-N-(3,4-dimethylphenyl)benzenesulfonamide CAS Name: 4-chloro-N-(3,4-dimethylphenyl)-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-4-chloro-N-(3,4-dimethylphenyl)benzenesulfonamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-4-chloro-N-(3,4-dimethylphenyl)benzenesulfonamide Formula: C26H29ClN3O3S+ MolecularWeight: 499.04476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H28ClN3O3S/c1-19-8-9-22(16-20(19)2)28-34(32,33)23-10-11-25(27)24(17-23)26(31)30-14-12-29(13-15-30)18-21-6-4-3-5-7-21/h3-11,16-17,28H,12-15,18H2,1-2H3/p+1