4-[[(E)-2-acetamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-2-acetamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-acetamido-3-[4-(p-tolylsulfonyloxy)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-acetamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-acetamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-acetamido-3-(4-tosyloxyphenyl)acryloyl]amino]benzoic acid Formula: C25H22N2O7S MolecularWeight: 494.51638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C(=O)NC3=CC=C(C=C3)C(=O)O)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(\C(=O)NC3=CC=C(C=C3)C(=O)O)/NC(=O)C

InChI

InChI=1S/C25H22N2O7S/c1-16-3-13-22(14-4-16)35(32,33)34-21-11-5-18(6-12-21)15-23(26-17(2)28)24(29)27-20-9-7-19(8-10-20)25(30)31/h3-15H,1-2H3,(H,26,28)(H,27,29)(H,30,31)/b23-15+