methyl (E)-2-acetamido-3-[2-[(4-methylphenyl)sulfonylmethyl]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-2-acetamido-3-[2-[(4-methylphenyl)sulfonylmethyl]phenyl]prop-2-enoate Openeye Name: methyl (E)-2-acetamido-3-[2-(p-tolylsulfonylmethyl)phenyl]prop-2-enoate CAS Name: (E)-2-acetamido-3-[2-[(4-methylphenyl)sulfonylmethyl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-acetamido-3-[2-[(4-methylphenyl)sulfonylmethyl]phenyl]prop-2-enoate Traditional Name: (E)-2-acetamido-3-[2-(tosylmethyl)phenyl]acrylic acid methyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2C=C(C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2/C=C(\C(=O)OC)/NC(=O)C

InChI

InChI=1S/C20H21NO5S/c1-14-8-10-18(11-9-14)27(24,25)13-17-7-5-4-6-16(17)12-19(20(23)26-3)21-15(2)22/h4-12H,13H2,1-3H3,(H,21,22)/b19-12+