methyl 1-[4-[(6-chloranylpyridin-3-yl)carbonylamino]phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: methyl 1-[4-[(6-chloranylpyridin-3-yl)carbonylamino]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: methyl 1-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[4-[[(6-chloro-3-pyridinyl)-oxomethyl]amino]phenyl]sulfonyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-[(6-chloronicotinoyl)amino]phenyl]sulfonylnipecotic acid methyl ester Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C19H20ClN3O5S/c1-28-19(25)14-3-2-10-23(12-14)29(26,27)16-7-5-15(6-8-16)22-18(24)13-4-9-17(20)21-11-13/h4-9,11,14H,2-3,10,12H2,1H3,(H,22,24)