[(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate

Systemtic Name: [(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate Openeye Name: [(1R)-2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [(1R)-2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H15ClN2O5S MolecularWeight: 406.8401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C18H15ClN2O5S/c1-11(17(22)21-13-8-7-12(10-20)15(19)9-13)26-18(23)14-5-3-4-6-16(14)27(2,24)25/h3-9,11H,1-2H3,(H,21,22)/t11-/m1/s1