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

Systemtic Name: 3-[[4-[(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acryloyl]phenyl]sulfonylamino]propionic acid Formula: C19H18BrNO7S MolecularWeight: 484.31772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO7S/c1-28-17-11-12(10-15(20)19(17)25)2-7-16(22)13-3-5-14(6-4-13)29(26,27)21-9-8-18(23)24/h2-7,10-11,21,25H,8-9H2,1H3,(H,23,24)/b7-2+