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

Systemtic Name: ethyl 3-[2-[(4-iodophenyl)-methylsulfonyl-amino]ethanoylamino]-2-methyl-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H21IN2O5S MolecularWeight: 516.34991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21IN2O5S/c1-4-27-19(24)16-6-5-7-17(13(16)2)21-18(23)12-22(28(3,25)26)15-10-8-14(20)9-11-15/h5-11H,4,12H2,1-3H3,(H,21,23)