2,5-dimethyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]methyl]benzenesulfonamide

Systemtic Name: 2,5-dimethyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]methyl]benzenesulfonamide Openeye Name: 2,5-dimethyl-N-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl]benzenesulfonamide CAS Name: 2,5-dimethyl-N-[[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]methyl]benzenesulfonamide IUPAC Name: 2,5-dimethyl-N-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl]benzenesulfonamide Traditional Name: 2,5-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-carbonyl)benzyl]benzenesulfonamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H27N3O3S/c1-16-4-5-17(2)20(14-16)28(26,27)22-15-18-6-8-19(9-7-18)21(25)24-12-10-23(3)11-13-24/h4-9,14,22H,10-13,15H2,1-3H3/p+1