[2-[(2R)-2-(nitrooxymethyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate

Systemtic Name: [2-[(2R)-2-(nitrooxymethyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate Openeye Name: [2-[(2R)-2-(nitrooxymethyl)pyrrolidin-1-yl]-2-oxo-ethyl] 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoate CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid [2-[(2R)-2-(nitrooxymethyl)-1-pyrrolidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2R)-2-(nitrooxymethyl)pyrrolidin-1-yl]-2-oxoethyl] 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoic acid [2-keto-2-[(2R)-2-(nitrooxymethyl)pyrrolidino]ethyl] ester Formula: C19H21ClN4O9S MolecularWeight: 516.90944

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)COC(=O)C2=CC(=C(C=C2NCC3=CC=CO3)Cl)S(=O)(=O)N)CO[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)COC(=O)C2=CC(=C(C=C2NCC3=CC=CO3)Cl)S(=O)(=O)N)CO[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN4O9S/c20-15-8-16(22-9-13-4-2-6-31-13)14(7-17(15)34(21,29)30)19(26)32-11-18(25)23-5-1-3-12(23)10-33-24(27)28/h2,4,6-8,12,22H,1,3,5,9-11H2,(H2,21,29,30)/t12-/m1/s1