[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxylic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylisonipecotic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H24ClN3O6S MolecularWeight: 481.94976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=CC=C1)Cl)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC(C(=O)C1=CC(=CC=C1)Cl)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C21H24ClN3O6S/c1-13(19(26)15-4-3-5-16(22)10-15)31-21(28)14-6-8-25(9-7-14)32(29,30)17-11-18(20(23)27)24(2)12-17/h3-5,10-14H,6-9H2,1-2H3,(H2,23,27)