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

Systemtic Name: [2-[4-(nitrooxymethyl)piperidin-1-yl]-2-oxidanylidene-ethyl] 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate Openeye Name: [2-[4-(nitrooxymethyl)-1-piperidyl]-2-oxo-ethyl] 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoate CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid [2-[4-(nitrooxymethyl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(nitrooxymethyl)piperidin-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-[4-(nitrooxymethyl)piperidino]ethyl] ester Formula: C20H23ClN4O9S MolecularWeight: 530.93602

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO[N+](=O)[O-])C(=O)COC(=O)C2=CC(=C(C=C2NCC3=CC=CO3)Cl)S(=O)(=O)N

Isomeric SMILES

C1CN(CCC1CO[N+](=O)[O-])C(=O)COC(=O)C2=CC(=C(C=C2NCC3=CC=CO3)Cl)S(=O)(=O)N

InChI

InChI=1S/C20H23ClN4O9S/c21-16-9-17(23-10-14-2-1-7-32-14)15(8-18(16)35(22,30)31)20(27)33-12-19(26)24-5-3-13(4-6-24)11-34-25(28)29/h1-2,7-9,13,23H,3-6,10-12H2,(H2,22,30,31)