3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2,4,6-trimethylphenyl)benzamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2,4,6-trimethylphenyl)benzamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2,4,6-trimethylphenyl)benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(2,4,6-trimethylphenyl)benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2,4,6-trimethylphenyl)benzamide Traditional Name: N-mesityl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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