[1-[[3,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-[[3,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3,5-dichloroanilino)-1-methyl-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [1-(3,5-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(3,5-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H20Cl2N2O5S2 MolecularWeight: 491.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H20Cl2N2O5S2/c1-12(18(24)22-16-10-14(20)9-15(21)11-16)28-19(25)13-4-6-23(7-5-13)30(26,27)17-3-2-8-29-17/h2-3,8-13H,4-7H2,1H3,(H,22,24)