[1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(5-chloro-2-methoxy-anilino)-1-methyl-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-(5-chloro-2-methoxy-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H24ClN3O6S MolecularWeight: 481.94976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

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