2-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]ethanoic acid

Systemtic Name: 2-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]ethanoic acid Openeye Name: 2-[[(E)-2-benzamido-3-[4-(p-tolylsulfonyloxy)phenyl]prop-2-enoyl]amino]acetic acid CAS Name: 2-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]-1-oxoprop-2-enyl]amino]acetic acid IUPAC Name: 2-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]acetic acid Traditional Name: 2-[[(E)-2-benzamido-3-(4-tosyloxyphenyl)acryloyl]amino]acetic 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)NCC(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O7S/c1-17-7-13-21(14-8-17)35(32,33)34-20-11-9-18(10-12-20)15-22(25(31)26-16-23(28)29)27-24(30)19-5-3-2-4-6-19/h2-15H,16H2,1H3,(H,26,31)(H,27,30)(H,28,29)/b22-15+