N-(2-ethyl-6-methyl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C)C

InChI

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