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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C)C3(CCCCC3)C#N

InChI

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