(3-methylphenyl) 1-(2-chloranylpyridin-3-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-methylphenyl) 1-(2-chloranylpyridin-3-yl)sulfonylpiperidine-4-carboxylate Openeye Name: m-tolyl 1-[(2-chloro-3-pyridyl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(2-chloro-3-pyridinyl)sulfonyl]-4-piperidinecarboxylic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 1-(2-chloropyridin-3-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(2-chloro-3-pyridyl)sulfonyl]isonipecotic acid m-tolyl ester Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C18H19ClN2O4S/c1-13-4-2-5-15(12-13)25-18(22)14-7-10-21(11-8-14)26(23,24)16-6-3-9-20-17(16)19/h2-6,9,12,14H,7-8,10-11H2,1H3