[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-iodophenyl)sulfamoyl]benzoate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-iodophenyl)sulfamoyl]benzoate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 3-[(4-iodophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-iodophenyl)sulfamoyl]benzoic acid [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3-[(4-iodophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-iodophenyl)sulfamoyl]benzoic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C22H15IN4O7S2 MolecularWeight: 638.41157

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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=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)I)C(=O)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15IN4O7S2/c23-14-4-6-15(7-5-14)26-36(32,33)17-3-1-2-13(10-17)21(29)34-12-20(28)25-22-24-18-9-8-16(27(30)31)11-19(18)35-22/h1-11,26H,12H2,(H,24,25,28)