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

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-iodophenyl)sulfamoyl]benzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 3-[(4-iodophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-iodophenyl)sulfamoyl]benzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-[(4-iodophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-iodophenyl)sulfamoyl]benzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C18H13IN4O7S2 MolecularWeight: 588.35289

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)I)C(=O)OCC(=O)NC3=NC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)I)C(=O)OCC(=O)NC3=NC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H13IN4O7S2/c19-12-4-6-13(7-5-12)22-32(28,29)14-3-1-2-11(8-14)17(25)30-10-15(24)21-18-20-9-16(31-18)23(26)27/h1-9,22H,10H2,(H,20,21,24)