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

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 1-(p-tolylsulfonyl)piperidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-tosylpipecolinic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O5S/c1-14-5-8-16(9-6-14)30(27,28)24-11-3-2-4-17(24)20(26)29-13-19(25)23-18-10-7-15(21)12-22-18/h5-10,12,17H,2-4,11,13H2,1H3,(H,22,23,25)