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

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic 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] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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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=CC=CC=[N+]3[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H21N3O6S/c1-14(28-19(24)17-6-2-3-13-22(17)25)18(23)20-15-7-9-16(10-8-15)29(26,27)21-11-4-5-12-21/h2-3,6-10,13-14H,4-5,11-12H2,1H3,(H,20,23)/t14-/m1/s1