[(2R)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate

Systemtic Name: [(2R)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate Openeye Name: [(1R)-2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-1-methyl-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [(2R)-1-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [(1R)-2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)OC(=O)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)OC(=O)C3=CC=NC=C3

InChI

InChI=1S/C20H22ClN3O5S/c1-14(29-20(26)15-7-9-22-10-8-15)19(25)23-18-13-16(5-6-17(18)21)30(27,28)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3,(H,23,25)/t14-/m1/s1