[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] pyrazine-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] pyrazine-2-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic 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] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [(1R)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)C3=NC=CN=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)C3=NC=CN=C3

InChI

InChI=1S/C18H20N4O5S/c1-13(27-18(24)16-12-19-8-9-20-16)17(23)21-14-4-6-15(7-5-14)28(25,26)22-10-2-3-11-22/h4-9,12-13H,2-3,10-11H2,1H3,(H,21,23)/t13-/m1/s1