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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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