ethyl 3-[(4-chloranyl-3-iodanyl-phenyl)carbonyl-methylsulfonyl-amino]benzoate

Systemtic Name: ethyl 3-[(4-chloranyl-3-iodanyl-phenyl)carbonyl-methylsulfonyl-amino]benzoate Openeye Name: ethyl 3-[(4-chloro-3-iodo-benzoyl)-methylsulfonyl-amino]benzoate CAS Name: 3-[[(4-chloro-3-iodophenyl)-oxomethyl]-methylsulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-chloro-3-iodobenzoyl)-methylsulfonylamino]benzoate Traditional Name: 3-[(4-chloro-3-iodo-benzoyl)-mesyl-amino]benzoic acid ethyl ester Formula: C17H15ClINO5S MolecularWeight: 507.72717

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC(=C(C=C2)Cl)I)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC(=C(C=C2)Cl)I)S(=O)(=O)C

InChI

InChI=1S/C17H15ClINO5S/c1-3-25-17(22)12-5-4-6-13(9-12)20(26(2,23)24)16(21)11-7-8-14(18)15(19)10-11/h4-10H,3H2,1-2H3