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

Systemtic Name: 3-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]propanoic acid Openeye Name: 3-[[(E)-2-benzamido-3-[4-(p-tolylsulfonyloxy)phenyl]prop-2-enoyl]amino]propanoic acid CAS Name: 3-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: 3-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]propanoic acid Traditional Name: 3-[[(E)-2-benzamido-3-(4-tosyloxyphenyl)acryloyl]amino]propionic acid Formula: C26H24N2O7S MolecularWeight: 508.54296

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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)NCCC(=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)NCCC(=O)O)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H24N2O7S/c1-18-7-13-22(14-8-18)36(33,34)35-21-11-9-19(10-12-21)17-23(26(32)27-16-15-24(29)30)28-25(31)20-5-3-2-4-6-20/h2-14,17H,15-16H2,1H3,(H,27,32)(H,28,31)(H,29,30)/b23-17+