[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-tosylpyrrolidine-2-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H28N2O5S/c1-4-15(5-2)20-18(22)13-26-19(23)17-7-6-12-21(17)27(24,25)16-10-8-14(3)9-11-16/h8-11,15,17H,4-7,12-13H2,1-3H3,(H,20,22)