[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl] (2S)-2-methyl-1-methylsulfonyl-indoline-5-carboxylate CAS Name: (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: (2S)-1-mesyl-2-methyl-indoline-5-carboxylic acid [2-[(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H21FN2O5S MolecularWeight: 420.454543

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC(=O)NCC3=CC=CC=C3F

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC(=O)NCC3=CC=CC=C3F

InChI

InChI=1S/C20H21FN2O5S/c1-13-9-16-10-14(7-8-18(16)23(13)29(2,26)27)20(25)28-12-19(24)22-11-15-5-3-4-6-17(15)21/h3-8,10,13H,9,11-12H2,1-2H3,(H,22,24)/t13-/m0/s1