[(2R)-1-nitrosopyrrolidin-2-yl]methyl 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate

Systemtic Name: [(2R)-1-nitrosopyrrolidin-2-yl]methyl 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate Openeye Name: [(2R)-1-nitrosopyrrolidin-2-yl]methyl 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoate CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid [(2R)-1-nitroso-2-pyrrolidinyl]methyl ester IUPAC Name: [(2R)-1-nitrosopyrrolidin-2-yl]methyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoic acid [(2R)-1-nitrosopyrrolidin-2-yl]methyl ester Formula: C17H19ClN4O6S MolecularWeight: 442.87396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)N=O)COC(=O)C2=CC(=C(C=C2NCC3=CC=CO3)Cl)S(=O)(=O)N

Isomeric SMILES

C1C[C@@H](N(C1)N=O)COC(=O)C2=CC(=C(C=C2NCC3=CC=CO3)Cl)S(=O)(=O)N

InChI

InChI=1S/C17H19ClN4O6S/c18-14-8-15(20-9-12-4-2-6-27-12)13(7-16(14)29(19,25)26)17(23)28-10-11-3-1-5-22(11)21-24/h2,4,6-8,11,20H,1,3,5,9-10H2,(H2,19,25,26)/t11-/m1/s1