methyl 3-iodanyl-4-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]-phenylmethoxycarbonyl-amino]benzoate

Systemtic Name: methyl 3-iodanyl-4-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]-phenylmethoxycarbonyl-amino]benzoate Openeye Name: methyl 4-[benzyloxycarbonyl-[(Z)-2-(p-tolylsulfonyl)vinyl]amino]-3-iodo-benzoate CAS Name: 3-iodo-4-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]-phenylmethoxycarbonylamino]benzoic acid methyl ester IUPAC Name: methyl 3-iodo-4-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]-phenylmethoxycarbonylamino]benzoate Traditional Name: 4-[carbobenzoxy-[(Z)-2-tosylvinyl]amino]-3-iodo-benzoic acid methyl ester Formula: C25H22INO6S MolecularWeight: 591.41475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C=CN(C2=C(C=C(C=C2)C(=O)OC)I)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C=C\N(C2=C(C=C(C=C2)C(=O)OC)I)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H22INO6S/c1-18-8-11-21(12-9-18)34(30,31)15-14-27(25(29)33-17-19-6-4-3-5-7-19)23-13-10-20(16-22(23)26)24(28)32-2/h3-16H,17H2,1-2H3/b15-14-