[(2R)-1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-pent-2-enoate

Systemtic Name: [(2R)-1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-pent-2-enoate Openeye Name: [(1R)-1-methyl-2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic acid [(2R)-1-[4-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (E)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [(1R)-2-keto-1-methyl-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O6S/c1-3-4-5-17(21)26-14(2)18(22)19-15-6-8-16(9-7-15)27(23,24)20-10-12-25-13-11-20/h4-9,14H,3,10-13H2,1-2H3,(H,19,22)/b5-4+/t14-/m1/s1