[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] (2R)-2-methyl-1-methylsulfonyl-indoline-5-carboxylate CAS Name: (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: (2R)-1-mesyl-2-methyl-indoline-5-carboxylic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OC(C)C(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

C[C@@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)O[C@@H](C)C(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C21H24N2O5S/c1-13-6-5-7-18(10-13)22-20(24)15(3)28-21(25)16-8-9-19-17(12-16)11-14(2)23(19)29(4,26)27/h5-10,12,14-15H,11H2,1-4H3,(H,22,24)/t14-,15+/m1/s1