[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-indolin-1-ylsulfonylbenzoate CAS Name: 3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 3-indolin-1-ylsulfonylbenzoic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C25H23NO5S/c1-17-10-12-20(13-11-17)24(27)18(2)31-25(28)21-7-5-8-22(16-21)32(29,30)26-15-14-19-6-3-4-9-23(19)26/h3-13,16,18H,14-15H2,1-2H3/t18-/m0/s1