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

Systemtic Name: 3-[[4-[(E)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[(E)-3-(3-hydroxy-4-methoxyphenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(E)-3-(3-hydroxy-4-methoxy-phenyl)acryloyl]phenyl]sulfonylamino]propionic acid Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)O

InChI

InChI=1S/C19H19NO7S/c1-27-18-9-3-13(12-17(18)22)2-8-16(21)14-4-6-15(7-5-14)28(25,26)20-11-10-19(23)24/h2-9,12,20,22H,10-11H2,1H3,(H,23,24)/b8-2+