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

Systemtic Name: 3-[[4-[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(E)-3-(4-allyloxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[(E)-1-oxo-3-(4-prop-2-enoxyphenyl)prop-2-enyl]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(E)-3-(4-allyloxyphenyl)acryloyl]phenyl]sulfonylamino]propionic acid Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

C=CCOC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C21H21NO6S/c1-2-15-28-18-8-3-16(4-9-18)5-12-20(23)17-6-10-19(11-7-17)29(26,27)22-14-13-21(24)25/h2-12,22H,1,13-15H2,(H,24,25)/b12-5+