N-[(2-methylphenyl)methyl]-N-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]methanesulfonamide

Systemtic Name: N-[(2-methylphenyl)methyl]-N-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]methanesulfonamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-N-(o-tolylmethyl)methanesulfonamide CAS Name: N-[(2-methylphenyl)methyl]-N-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[(2-methylphenyl)methyl]-N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide Traditional Name: N-(2-methylbenzyl)-N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C)S(=O)(=O)C

InChI

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