[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (2-indolin-1-yl-2-oxo-ethyl) (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (2-indolin-1-yl-2-keto-ethyl) ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)OCC(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C21H22N2O5S/c1-29(26,27)23-13-17-8-3-2-7-16(17)12-19(23)21(25)28-14-20(24)22-11-10-15-6-4-5-9-18(15)22/h2-9,19H,10-14H2,1H3/t19-/m1/s1