2-[4-[3-[(3-chlorophenyl)sulfamoyl]-4-methyl-phenyl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[3-[(3-chlorophenyl)sulfamoyl]-4-methyl-phenyl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[3-[(3-chlorophenyl)sulfamoyl]-4-methyl-benzoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[3-[(3-chlorophenyl)sulfamoyl]-4-methylbenzoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[3-[(3-chlorophenyl)sulfamoyl]-4-methyl-benzoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C23H28ClN4O4S+ MolecularWeight: 492.01082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)S(=O)(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)S(=O)(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H27ClN4O4S/c1-16-5-6-17(13-21(16)33(31,32)26-20-4-2-3-18(24)14-20)23(30)28-11-9-27(10-12-28)15-22(29)25-19-7-8-19/h2-6,13-14,19,26H,7-12,15H2,1H3,(H,25,29)/p+1