3-[[4-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]phenyl]sulfonylamino]propionic acid Formula: C19H18BrNO6S MolecularWeight: 468.31832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO6S/c1-27-18-9-5-15(20)12-14(18)4-8-17(22)13-2-6-16(7-3-13)28(25,26)21-11-10-19(23)24/h2-9,12,21H,10-11H2,1H3,(H,23,24)/b8-4+