methyl 3-iodanyl-4-[methanoyl-[(E)-1-(4-methylphenyl)sulfonylpent-2-en-2-yl]amino]benzoate

Systemtic Name: methyl 3-iodanyl-4-[methanoyl-[(E)-1-(4-methylphenyl)sulfonylpent-2-en-2-yl]amino]benzoate Openeye Name: methyl 4-[formyl-[(E)-1-(p-tolylsulfonylmethyl)but-1-enyl]amino]-3-iodo-benzoate CAS Name: 4-[formyl-[(E)-1-(4-methylphenyl)sulfonylpent-2-en-2-yl]amino]-3-iodobenzoic acid methyl ester IUPAC Name: methyl 4-[formyl-[(E)-1-(4-methylphenyl)sulfonylpent-2-en-2-yl]amino]-3-iodobenzoate Traditional Name: 4-[formyl-[(E)-1-(tosylmethyl)but-1-enyl]amino]-3-iodo-benzoic acid methyl ester Formula: C21H22INO5S MolecularWeight: 527.37255

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(CS(=O)(=O)C1=CC=C(C=C1)C)N(C=O)C2=C(C=C(C=C2)C(=O)OC)I

Isomeric SMILES

CC/C=C(\CS(=O)(=O)C1=CC=C(C=C1)C)/N(C=O)C2=C(C=C(C=C2)C(=O)OC)I

InChI

InChI=1S/C21H22INO5S/c1-4-5-17(13-29(26,27)18-9-6-15(2)7-10-18)23(14-24)20-11-8-16(12-19(20)22)21(25)28-3/h5-12,14H,4,13H2,1-3H3/b17-5+