[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl] (2S)-2-methyl-1-methylsulfonyl-indoline-5-carboxylate CAS Name: (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: (2S)-1-mesyl-2-methyl-indoline-5-carboxylic acid [2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC(=O)NC(C)(C)CC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5S/c1-14-10-16-11-15(8-9-17(16)23(14)29(7,26)27)19(25)28-12-18(24)22-21(5,6)13-20(2,3)4/h8-9,11,14H,10,12-13H2,1-7H3,(H,22,24)/t14-/m0/s1