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

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)OCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)OCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c1-29(26,27)23-13-11-17-14-18(9-10-19(17)23)21(25)28-15-20(24)22-12-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,14H,5,8,11-13,15H2,1H3,(H,22,24)