3-[[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(E)-3-(2-isopropoxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[(E)-1-oxo-3-(2-propan-2-yloxyphenyl)prop-2-enyl]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(E)-3-(2-isopropoxyphenyl)acryloyl]phenyl]sulfonylamino]propionic acid Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

CC(C)OC1=CC=CC=C1/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C21H23NO6S/c1-15(2)28-20-6-4-3-5-17(20)9-12-19(23)16-7-10-18(11-8-16)29(26,27)22-14-13-21(24)25/h3-12,15,22H,13-14H2,1-2H3,(H,24,25)/b12-9+