2-ethoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC2=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)20(24)21-16-8-10-17(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