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

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] (E)-pent-2-enoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic acid [(2R)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] (E)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [(1R)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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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)N2CCCC2

Isomeric SMILES

CC/C=C/C(=O)O[C@H](C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H24N2O5S/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/h4,7-11,14H,3,5-6,12-13H2,1-2H3,(H,19,22)/b7-4+/t14-/m1/s1