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

Systemtic Name: [2-[4-(2-nitrooxyethyl)piperidin-1-yl]-2-oxidanylidene-ethyl] 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate Openeye Name: [2-[4-(2-nitrooxyethyl)-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-(2-nitrooxyethyl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-nitrooxyethyl)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-(2-nitrooxyethyl)piperidino]ethyl] ester Formula: C21H25ClN4O9S MolecularWeight: 544.9626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCO[N+](=O)[O-])C(=O)COC(=O)C2=CC(=C(C=C2NCC3=CC=CO3)Cl)S(=O)(=O)N

Isomeric SMILES

C1CN(CCC1CCO[N+](=O)[O-])C(=O)COC(=O)C2=CC(=C(C=C2NCC3=CC=CO3)Cl)S(=O)(=O)N

InChI

InChI=1S/C21H25ClN4O9S/c22-17-11-18(24-12-15-2-1-8-33-15)16(10-19(17)36(23,31)32)21(28)34-13-20(27)25-6-3-14(4-7-25)5-9-35-26(29)30/h1-2,8,10-11,14,24H,3-7,9,12-13H2,(H2,23,31,32)