methyl (E)-4-[(2-iodanylphenyl)-(phenylsulfonyl)amino]but-2-enoate

Systemtic Name: methyl (E)-4-[(2-iodanylphenyl)-(phenylsulfonyl)amino]but-2-enoate Openeye Name: methyl (E)-4-[N-(benzenesulfonyl)-2-iodo-anilino]but-2-enoate CAS Name: (E)-4-[N-(benzenesulfonyl)-2-iodoanilino]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[N-(benzenesulfonyl)-2-iodoanilino]but-2-enoate Traditional Name: (E)-4-(N-besyl-2-iodo-anilino)but-2-enoic acid methyl ester Formula: C17H16INO4S MolecularWeight: 457.28271

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCN(C1=CC=CC=C1I)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)/C=C/CN(C1=CC=CC=C1I)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H16INO4S/c1-23-17(20)12-7-13-19(16-11-6-5-10-15(16)18)24(21,22)14-8-3-2-4-9-14/h2-12H,13H2,1H3/b12-7+