[2-[[(2S)-2-nitrooxypropyl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate

Systemtic Name: [2-[[(2S)-2-nitrooxypropyl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate Openeye Name: [2-[[(2S)-2-nitrooxypropyl]amino]-2-oxo-ethyl] 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoate CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid [2-[[(2S)-2-nitrooxypropyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-nitrooxypropyl]amino]-2-oxoethyl] 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoic acid [2-keto-2-[[(2S)-2-nitrooxypropyl]amino]ethyl] ester Formula: C17H19ClN4O9S MolecularWeight: 490.87216

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=CC(=C(C=C1NCC2=CC=CO2)Cl)S(=O)(=O)N)O[N+](=O)[O-]

Isomeric SMILES

C[C@@H](CNC(=O)COC(=O)C1=CC(=C(C=C1NCC2=CC=CO2)Cl)S(=O)(=O)N)O[N+](=O)[O-]

InChI

InChI=1S/C17H19ClN4O9S/c1-10(31-22(25)26)7-21-16(23)9-30-17(24)12-5-15(32(19,27)28)13(18)6-14(12)20-8-11-3-2-4-29-11/h2-6,10,20H,7-9H2,1H3,(H,21,23)(H2,19,27,28)/t10-/m0/s1