methyl 3-iodanyl-4-[methanoyl-[(E)-4-(4-methylphenyl)sulfonylbut-2-enyl]amino]benzoate

Systemtic Name: methyl 3-iodanyl-4-[methanoyl-[(E)-4-(4-methylphenyl)sulfonylbut-2-enyl]amino]benzoate Openeye Name: methyl 4-[formyl-[(E)-4-(p-tolylsulfonyl)but-2-enyl]amino]-3-iodo-benzoate CAS Name: 4-[formyl-[(E)-4-(4-methylphenyl)sulfonylbut-2-enyl]amino]-3-iodobenzoic acid methyl ester IUPAC Name: methyl 4-[formyl-[(E)-4-(4-methylphenyl)sulfonylbut-2-enyl]amino]-3-iodobenzoate Traditional Name: 4-[formyl-[(E)-4-tosylbut-2-enyl]amino]-3-iodo-benzoic acid methyl ester Formula: C20H20INO5S MolecularWeight: 513.34597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC=CCN(C=O)C2=C(C=C(C=C2)C(=O)OC)I

Isomeric SMILES

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

InChI

InChI=1S/C20H20INO5S/c1-15-5-8-17(9-6-15)28(25,26)12-4-3-11-22(14-23)19-10-7-16(13-18(19)21)20(24)27-2/h3-10,13-14H,11-12H2,1-2H3/b4-3+