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

Systemtic Name: [(2R)-1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate Openeye Name: [(1R)-2-(3-chloro-4-methoxy-anilino)-1-methyl-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [(1R)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18ClNO6S MolecularWeight: 411.85662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO6S/c1-11(17(21)20-12-8-9-15(25-2)14(19)10-12)26-18(22)13-6-4-5-7-16(13)27(3,23)24/h4-11H,1-3H3,(H,20,21)/t11-/m1/s1