3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-propan-2-ylphenyl)benzamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-propan-2-ylphenyl)benzamide Openeye Name: N-(2-isopropylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(2-propan-2-ylphenyl)benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-propan-2-ylphenyl)benzamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-o-cumenyl-benzamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

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