cyanomethyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: cyanomethyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: cyanomethyl 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid cyanomethyl ester Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4S/c1-19(16,17)14-6-4-9-8-10(2-3-11(9)14)12(15)18-7-5-13/h2-3,8H,4,6-7H2,1H3