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

Systemtic Name: [1-[[2,3-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2,3-dichloroanilino)-1-methyl-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-(2,3-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21Cl2N3O5S MolecularWeight: 486.36884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2N3O5S/c1-13(19(26)24-17-6-2-5-16(21)18(17)22)30-20(27)14-7-10-25(11-8-14)31(28,29)15-4-3-9-23-12-15/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,24,26)