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

Systemtic Name: 6-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]hexanoic acid Openeye Name: 6-[[(E)-2-benzamido-3-[4-(p-tolylsulfonyloxy)phenyl]prop-2-enoyl]amino]hexanoic acid CAS Name: 6-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 6-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]hexanoic acid Traditional Name: 6-[[(E)-2-benzamido-3-(4-tosyloxyphenyl)acryloyl]amino]hexanoic acid Formula: C29H30N2O7S MolecularWeight: 550.6227

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

InChI

InChI=1S/C29H30N2O7S/c1-21-11-17-25(18-12-21)39(36,37)38-24-15-13-22(14-16-24)20-26(31-28(34)23-8-4-2-5-9-23)29(35)30-19-7-3-6-10-27(32)33/h2,4-5,8-9,11-18,20H,3,6-7,10,19H2,1H3,(H,30,35)(H,31,34)(H,32,33)/b26-20+