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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-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-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: (2S)-1-mesyl-2-methyl-indoline-5-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C20H25N3O5S/c1-14-10-16-11-15(6-7-17(16)23(14)29(2,26)27)19(25)28-12-18(24)22-20(13-21)8-4-3-5-9-20/h6-7,11,14H,3-5,8-10,12H2,1-2H3,(H,22,24)/t14-/m0/s1