[2-oxidanylidene-2-(phenethylamino)ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)OCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)OCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O5S/c1-28(25,26)22-12-10-16-13-17(7-8-18(16)22)20(24)27-14-19(23)21-11-9-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,21,23)