methyl 4-(3-cyanophenyl)-1-methylsulfonyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 4-(3-cyanophenyl)-1-methylsulfonyl-pyrrolidine-3-carboxylate Openeye Name: methyl 4-(3-cyanophenyl)-1-methylsulfonyl-pyrrolidine-3-carboxylate CAS Name: 4-(3-cyanophenyl)-1-methylsulfonyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-cyanophenyl)-1-methylsulfonylpyrrolidine-3-carboxylate Traditional Name: 4-(3-cyanophenyl)-1-mesyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CC1C2=CC=CC(=C2)C#N)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1CN(CC1C2=CC=CC(=C2)C#N)S(=O)(=O)C

InChI

InChI=1S/C14H16N2O4S/c1-20-14(17)13-9-16(21(2,18)19)8-12(13)11-5-3-4-10(6-11)7-15/h3-6,12-13H,8-9H2,1-2H3