3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(4-propylphenyl)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

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