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

Systemtic Name: methyl 3-[2-[(4-iodophenyl)-methylsulfonyl-amino]ethanoylamino]-2-methyl-benzoate Openeye Name: methyl 3-[[2-(4-iodo-N-methylsulfonyl-anilino)acetyl]amino]-2-methyl-benzoate CAS Name: 3-[[2-(4-iodo-N-methylsulfonylanilino)-1-oxoethyl]amino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-iodo-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate Traditional Name: 3-[[2-(4-iodo-N-mesyl-anilino)acetyl]amino]-2-methyl-benzoic acid methyl ester Formula: C18H19IN2O5S MolecularWeight: 502.32333

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CN(C2=CC=C(C=C2)I)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CN(C2=CC=C(C=C2)I)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C18H19IN2O5S/c1-12-15(18(23)26-2)5-4-6-16(12)20-17(22)11-21(27(3,24)25)14-9-7-13(19)8-10-14/h4-10H,11H2,1-3H3,(H,20,22)