[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H22N2O5S/c1-13-4-7-17(8-5-13)21-19(23)14(2)27-20(24)16-6-9-18-15(12-16)10-11-22(18)28(3,25)26/h4-9,12,14H,10-11H2,1-3H3,(H,21,23)/t14-/m0/s1