methyl 1-[(4-cyanophenyl)methylsulfonyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[(4-cyanophenyl)methylsulfonyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[(4-cyanophenyl)methylsulfonyl]pyrrolidine-2-carboxylate CAS Name: 1-[(4-cyanophenyl)methylsulfonyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-cyanophenyl)methylsulfonyl]pyrrolidine-2-carboxylate Traditional Name: 1-(4-cyanobenzyl)sulfonylpyrrolidine-2-carboxylic acid methyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1S(=O)(=O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)C1CCCN1S(=O)(=O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H16N2O4S/c1-20-14(17)13-3-2-8-16(13)21(18,19)10-12-6-4-11(9-15)5-7-12/h4-7,13H,2-3,8,10H2,1H3