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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C20H17N3O7S2 MolecularWeight: 475.49488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NCC2=CC=CS2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NCC2=CC=CS2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7S2/c24-19(21-12-15-6-4-10-31-15)13-30-20(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)