ethyl 4-[[(E)-2-acetamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-2-acetamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-acetamido-3-[4-(p-tolylsulfonyloxy)phenyl]prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-acetamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-acetamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-acetamido-3-(4-tosyloxyphenyl)acryloyl]amino]benzoic acid ethyl ester Formula: C27H26N2O7S MolecularWeight: 522.56954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)/NC(=O)C

InChI

InChI=1S/C27H26N2O7S/c1-4-35-27(32)21-9-11-22(12-10-21)29-26(31)25(28-19(3)30)17-20-7-13-23(14-8-20)36-37(33,34)24-15-5-18(2)6-16-24/h5-17H,4H2,1-3H3,(H,28,30)(H,29,31)/b25-17+