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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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