methyl 4-[ethanoyl-[(Z)-3-methoxy-1-(4-methylphenyl)sulfonyl-prop-1-en-2-yl]amino]-3-iodanyl-benzoate

Systemtic Name: methyl 4-[ethanoyl-[(Z)-3-methoxy-1-(4-methylphenyl)sulfonyl-prop-1-en-2-yl]amino]-3-iodanyl-benzoate Openeye Name: methyl 4-[acetyl-[(Z)-1-(methoxymethyl)-2-(p-tolylsulfonyl)vinyl]amino]-3-iodo-benzoate CAS Name: 4-[acetyl-[(Z)-3-methoxy-1-(4-methylphenyl)sulfonylprop-1-en-2-yl]amino]-3-iodobenzoic acid methyl ester IUPAC Name: methyl 4-[acetyl-[(Z)-3-methoxy-1-(4-methylphenyl)sulfonylprop-1-en-2-yl]amino]-3-iodobenzoate Traditional Name: 4-[acetyl-[(Z)-1-(methoxymethyl)-2-tosyl-vinyl]amino]-3-iodo-benzoic acid methyl ester Formula: C21H22INO6S MolecularWeight: 543.37195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22INO6S/c1-14-5-8-18(9-6-14)30(26,27)13-17(12-28-3)23(15(2)24)20-10-7-16(11-19(20)22)21(25)29-4/h5-11,13H,12H2,1-4H3/b17-13-