[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C20H17N3O8S MolecularWeight: 459.42928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NCC2=CC=CO2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NCC2=CC=CO2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O8S/c24-19(21-12-15-6-4-10-30-15)13-31-20(25)17-8-1-2-9-18(17)22-32(28,29)16-7-3-5-14(11-16)23(26)27/h1-11,22H,12-13H2,(H,21,24)