N-(3-methylbutylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(isoamylcarbamoyl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NCCC(C)C

InChI

InChI=1S/C19H30N4O4S/c1-15(2)8-9-20-19(25)21-18(24)14-22-10-12-23(13-11-22)28(26,27)17-6-4-16(3)5-7-17/h4-7,15H,8-14H2,1-3H3,(H2,20,21,24,25)/p+1