(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C21H15N3O7S2 MolecularWeight: 485.4897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=NOC(=C2)C3=CC=CS3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=NOC(=C2)C3=CC=CS3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O7S2/c25-21(30-13-14-11-19(31-22-14)20-9-4-10-32-20)17-7-1-2-8-18(17)23-33(28,29)16-6-3-5-15(12-16)24(26)27/h1-12,23H,13H2