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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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