2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide Openeye Name: N-(isopropylcarbamoyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[oxo-(propan-2-ylamino)methyl]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)acetamide Traditional Name: N-(isopropylcarbamoyl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C17H27N4O4S+ MolecularWeight: 383.48568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O4S/c1-13(2)18-17(23)19-16(22)12-20-8-10-21(11-9-20)26(24,25)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3,(H2,18,19,22,23)/p+1