[(2R)-1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] butanoate

Systemtic Name: [(2R)-1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] butanoate Openeye Name: [(1R)-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] butanoate CAS Name: butanoic acid [(2R)-1-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] butanoate Traditional Name: butyric acid [(1R)-2-keto-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)C(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCCC(=O)O[C@H](C)C(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C18H26N2O6S/c1-4-5-17(21)26-14(3)18(22)19-15-7-6-13(2)16(12-15)27(23,24)20-8-10-25-11-9-20/h6-7,12,14H,4-5,8-11H2,1-3H3,(H,19,22)/t14-/m1/s1