[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpyrrolidine-2-carboxylate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 1-methylsulfonylpyrrolidine-2-carboxylate CAS Name: 1-methylsulfonyl-2-pyrrolidinecarboxylic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 1-methylsulfonylpyrrolidine-2-carboxylate Traditional Name: 1-mesylpyrrolidine-2-carboxylic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2CCCN2S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2CCCN2S(=O)(=O)C

InChI

InChI=1S/C16H19N3O5S/c1-11(15(20)18-13-6-3-5-12(9-13)10-17)24-16(21)14-7-4-8-19(14)25(2,22)23/h3,5-6,9,11,14H,4,7-8H2,1-2H3,(H,18,20)