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

Systemtic Name: N-(3-ethylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(3-ethylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(3-ethylphenyl)-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(3-ethylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(3-ethylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H25N3O3S/c1-3-16-6-4-8-18(14-16)21-20(24)17-7-5-9-19(15-17)27(25,26)23-12-10-22(2)11-13-23/h4-9,14-15H,3,10-13H2,1-2H3,(H,21,24)/p+1