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

Systemtic Name: [2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-(2-methyl-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-keto-2-(2-methyl-5-morpholinosulfonyl-anilino)ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O6S/c1-3-4-5-18(22)26-13-17(21)19-16-12-15(7-6-14(16)2)27(23,24)20-8-10-25-11-9-20/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,19,21)