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

Systemtic Name: [2-[[(2R)-1-nitrooxybutan-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate Openeye Name: [2-[[(1R)-1-(nitrooxymethyl)propyl]amino]-2-oxo-ethyl] 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoate CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid [2-[[(2R)-1-nitrooxybutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-1-nitrooxybutan-2-yl]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-[[(1R)-1-(nitrooxymethyl)propyl]amino]ethyl] ester Formula: C18H21ClN4O9S MolecularWeight: 504.89874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O9S/c1-2-11(9-32-23(26)27)22-17(24)10-31-18(25)13-6-16(33(20,28)29)14(19)7-15(13)21-8-12-4-3-5-30-12/h3-7,11,21H,2,8-10H2,1H3,(H,22,24)(H2,20,28,29)/t11-/m1/s1