[2-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] 4-methylbenzoate

Systemtic Name: [2-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] 4-methylbenzoate Openeye Name: [2-[(2R)-2-methyl-1-methylsulfonyl-indolin-5-yl]-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-oxoethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-keto-2-[(2R)-1-mesyl-2-methyl-indolin-5-yl]ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)COC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-13-4-6-15(7-5-13)20(23)26-12-19(22)16-8-9-18-17(11-16)10-14(2)21(18)27(3,24)25/h4-9,11,14H,10,12H2,1-3H3/t14-/m1/s1