[(2S)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [(2S)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [(1S)-2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [(1S)-2-(3-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

InChI

InChI=1S/C19H20ClNO5S/c1-12-16(20)5-4-6-17(12)21-18(22)13(2)26-19(23)15-9-7-14(8-10-15)11-27(3,24)25/h4-10,13H,11H2,1-3H3,(H,21,22)/t13-/m0/s1