[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-carbomethoxyphenyl)sulfonylisonipecotic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C21H22ClN3O7S MolecularWeight: 495.93328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O7S/c1-31-21(28)16-4-2-3-5-17(16)33(29,30)25-10-8-14(9-11-25)20(27)32-13-19(26)24-18-7-6-15(22)12-23-18/h2-7,12,14H,8-11,13H2,1H3,(H,23,24,26)