[(2R)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate

Systemtic Name: [(2R)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [(1R)-2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [(1R)-2-[(2-chloro-3-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C16H15ClN2O5S MolecularWeight: 382.8187

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C16H15ClN2O5S/c1-10(15(20)19-13-4-3-9-18-14(13)17)24-16(21)11-5-7-12(8-6-11)25(2,22)23/h3-10H,1-2H3,(H,19,20)/t10-/m1/s1