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

Systemtic Name: N-(2-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(2-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(2-ethoxyphenyl)-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(2-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-o-phenetyl-benzamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H25N3O4S/c1-3-27-19-10-5-4-9-18(19)21-20(24)16-7-6-8-17(15-16)28(25,26)23-13-11-22(2)12-14-23/h4-10,15H,3,11-14H2,1-2H3,(H,21,24)/p+1