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

Systemtic Name: [(2S)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [(1S)-2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic 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-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [(1S)-2-(3-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO5S/c1-11-15(19)5-4-6-16(11)20-17(21)12(2)25-18(22)13-7-9-14(10-8-13)26(3,23)24/h4-10,12H,1-3H3,(H,20,21)/t12-/m0/s1