[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C21H26N2O5S/c1-5-9-22-14(2)11-18(15(22)3)20(24)13-28-21(25)17-6-7-19-16(12-17)8-10-23(19)29(4,26)27/h6-7,11-12H,5,8-10,13H2,1-4H3