[2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] pentanoate

Systemtic Name: [2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-(2-chloro-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-[2-chloro-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-(2-chloro-5-morpholinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C17H23ClN2O6S MolecularWeight: 418.89232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl

Isomeric SMILES

CCCCC(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl

InChI

InChI=1S/C17H23ClN2O6S/c1-2-3-4-17(22)26-12-16(21)19-15-11-13(5-6-14(15)18)27(23,24)20-7-9-25-10-8-20/h5-6,11H,2-4,7-10,12H2,1H3,(H,19,21)