3-[[4-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[(E)-3-(4-tert-butylphenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(E)-3-(4-tert-butylphenyl)acryloyl]phenyl]sulfonylamino]propionic acid Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C22H25NO5S/c1-22(2,3)18-9-4-16(5-10-18)6-13-20(24)17-7-11-19(12-8-17)29(27,28)23-15-14-21(25)26/h4-13,23H,14-15H2,1-3H3,(H,25,26)/b13-6+