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

Systemtic Name: 2-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[(E)-2-benzamido-3-[4-(p-tolylsulfonyloxy)phenyl]prop-2-enoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]-1-oxoprop-2-enyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[(E)-2-benzamido-3-(4-tosyloxyphenyl)acryloyl]amino]-3-phenyl-propionic acid Formula: C32H28N2O7S MolecularWeight: 584.63892

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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)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(\C(=O)NC(CC3=CC=CC=C3)C(=O)O)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C32H28N2O7S/c1-22-12-18-27(19-13-22)42(39,40)41-26-16-14-24(15-17-26)20-28(33-30(35)25-10-6-3-7-11-25)31(36)34-29(32(37)38)21-23-8-4-2-5-9-23/h2-20,29H,21H2,1H3,(H,33,35)(H,34,36)(H,37,38)/b28-20+