[1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] pentanoate

Systemtic Name: [1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] pentanoate Openeye Name: [1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] pentanoate CAS Name: pentanoic acid [1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] pentanoate Traditional Name: valeric acid [2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C18H26N2O5S MolecularWeight: 382.47444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCCCC(=O)OC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H26N2O5S/c1-3-4-7-17(21)25-14(2)18(22)19-15-8-10-16(11-9-15)26(23,24)20-12-5-6-13-20/h8-11,14H,3-7,12-13H2,1-2H3,(H,19,22)