[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [(1S)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl] ester Formula: C25H25NO6S MolecularWeight: 467.5341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C

InChI

InChI=1S/C25H25NO6S/c1-16-10-13-22(31-3)21(14-16)26-24(27)23(18-8-6-5-7-9-18)32-25(28)20-15-19(33(4,29)30)12-11-17(20)2/h5-15,23H,1-4H3,(H,26,27)/t23-/m0/s1