[1-[4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-phenyl]carbonylpiperidin-4-yl] nitrate

Systemtic Name: [1-[4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-phenyl]carbonylpiperidin-4-yl] nitrate Openeye Name: [1-[4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoyl]-4-piperidyl] nitrate CAS Name: nitric acid [1-[[4-chloro-2-(2-furanylmethylamino)-5-sulfamoylphenyl]-oxomethyl]-4-piperidinyl] ester IUPAC Name: [1-[4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]piperidin-4-yl] nitrate Traditional Name: nitric acid [1-[4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoyl]-4-piperidyl] ester Formula: C17H19ClN4O7S MolecularWeight: 458.87336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O[N+](=O)[O-])C(=O)C2=CC(=C(C=C2NCC3=CC=CO3)Cl)S(=O)(=O)N

Isomeric SMILES

C1CN(CCC1O[N+](=O)[O-])C(=O)C2=CC(=C(C=C2NCC3=CC=CO3)Cl)S(=O)(=O)N

InChI

InChI=1S/C17H19ClN4O7S/c18-14-9-15(20-10-12-2-1-7-28-12)13(8-16(14)30(19,26)27)17(23)21-5-3-11(4-6-21)29-22(24)25/h1-2,7-9,11,20H,3-6,10H2,(H2,19,26,27)