(3-cyanophenyl)methyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: (3-cyanophenyl)methyl 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid (3-cyanobenzyl) ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H16N2O4S/c1-25(22,23)20-8-7-15-10-16(5-6-17(15)20)18(21)24-12-14-4-2-3-13(9-14)11-19/h2-6,9-10H,7-8,12H2,1H3