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

Systemtic Name: 2-[[3-[(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[3-[(E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[3-[(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[3-[(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[3-[(E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acryloyl]phenyl]sulfonylamino]acetic acid Formula: C18H16BrNO7S MolecularWeight: 470.29114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrNO7S/c1-27-16-8-11(7-14(19)18(16)24)5-6-15(21)12-3-2-4-13(9-12)28(25,26)20-10-17(22)23/h2-9,20,24H,10H2,1H3,(H,22,23)/b6-5+