[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 4-[(4-bromophenyl)sulfonylamino]benzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 4-(brosylamino)benzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C18H13BrN4O7S2 MolecularWeight: 541.35242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN4O7S2/c19-12-3-7-14(8-4-12)32(28,29)22-13-5-1-11(2-6-13)17(25)30-10-15(24)21-18-20-9-16(31-18)23(26)27/h1-9,22H,10H2,(H,20,21,24)