[2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-[[5-(4-nitrophenyl)sulfonylthiazol-2-yl]amino]-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-keto-2-[(5-nosylthiazol-2-yl)amino]ethyl] ester Formula: C18H12BrN3O7S2 MolecularWeight: 526.33778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H12BrN3O7S2/c19-12-3-1-11(2-4-12)17(24)29-10-15(23)21-18-20-9-16(30-18)31(27,28)14-7-5-13(6-8-14)22(25)26/h1-9H,10H2,(H,20,21,23)