[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-acetamidopropanoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-acetamidopropanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C17H23N3O6S MolecularWeight: 397.44602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)OCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(=O)NCCC(=O)OCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C17H23N3O6S/c1-13(21)18-9-8-17(23)26-12-16(22)19-14-4-6-15(7-5-14)27(24,25)20-10-2-3-11-20/h4-7H,2-3,8-12H2,1H3,(H,18,21)(H,19,22)