methyl 4-chloranyl-3-[2-[(4-iodophenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[(4-iodophenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-(4-iodo-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-(4-iodo-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(4-iodo-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(4-iodo-N-mesyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C17H16ClIN2O5S MolecularWeight: 522.74181

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN(C2=CC=C(C=C2)I)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN(C2=CC=C(C=C2)I)S(=O)(=O)C

InChI

InChI=1S/C17H16ClIN2O5S/c1-26-17(23)11-3-8-14(18)15(9-11)20-16(22)10-21(27(2,24)25)13-6-4-12(19)5-7-13/h3-9H,10H2,1-2H3,(H,20,22)