[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-[(4-iodophenyl)sulfamoyl]benzoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-[(4-iodophenyl)sulfamoyl]benzoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 3-[(4-iodophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-iodophenyl)sulfamoyl]benzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 3-[(4-iodophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-iodophenyl)sulfamoyl]benzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C22H16IN3O5S2 MolecularWeight: 593.41401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)I

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)I

InChI

InChI=1S/C22H16IN3O5S2/c23-15-8-10-16(11-9-15)26-33(29,30)17-5-3-4-14(12-17)21(28)31-13-20(27)25-22-24-18-6-1-2-7-19(18)32-22/h1-12,26H,13H2,(H,24,25,27)