N-(3,4-dimethylphenyl)-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(3,4-dimethylphenyl)-2-methyl-5-(4-methylpiperazin-4-ium-1-carbonyl)benzenesulfonamide CAS Name: N-(3,4-dimethylphenyl)-2-methyl-5-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]benzenesulfonamide IUPAC Name: N-(3,4-dimethylphenyl)-2-methyl-5-(4-methylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: N-(3,4-dimethylphenyl)-2-methyl-5-(4-methylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-15-6-8-19(13-17(15)3)22-28(26,27)20-14-18(7-5-16(20)2)21(25)24-11-9-23(4)10-12-24/h5-8,13-14,22H,9-12H2,1-4H3/p+1