[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] 4-(2-thienylsulfonylamino)benzoate CAS Name: 4-(thiophen-2-ylsulfonylamino)benzoic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 4-(2-thienylsulfonylamino)benzoic acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H17IN2O5S2 MolecularWeight: 556.39385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H17IN2O5S2/c1-13-11-15(21)6-9-17(13)22-18(24)12-28-20(25)14-4-7-16(8-5-14)23-30(26,27)19-3-2-10-29-19/h2-11,23H,12H2,1H3,(H,22,24)