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

Systemtic Name: (2-cyanophenyl)methyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: (2-cyanophenyl)methyl 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid (2-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=C3C#N

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)OCC3=CC=CC=C3C#N

InChI

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