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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H30N4O4S/c1-16(2)8-9-20-19(25)21-18(24)14-22-10-12-23(13-11-22)28(26,27)15-17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3,(H2,20,21,24,25)/p+1