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

Systemtic Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: N-(isoamylcarbamoyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H31N4O5S+ MolecularWeight: 427.53824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H30N4O5S/c1-15(2)8-9-20-19(25)21-18(24)14-22-10-12-23(13-11-22)29(26,27)17-6-4-16(28-3)5-7-17/h4-7,15H,8-14H2,1-3H3,(H2,20,21,24,25)/p+1