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

Systemtic Name: 4-[[4-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[[4-[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid CAS Name: 4-[[4-[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[4-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid Traditional Name: 4-[[4-[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]phenyl]sulfonylamino]butyric acid Formula: C20H20BrNO6S MolecularWeight: 482.3449

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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)NCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO6S/c1-28-19-11-7-16(21)13-15(19)6-10-18(23)14-4-8-17(9-5-14)29(26,27)22-12-2-3-20(24)25/h4-11,13,22H,2-3,12H2,1H3,(H,24,25)/b10-6+