(E)-3-(5-bromanyl-2-methoxy-phenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-2-[5-(1-piperidylsulfonyl)-2-thienyl]prop-2-enoic acid CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-2-(5-piperidinosulfonyl-2-thienyl)acrylic acid Formula: C19H20BrNO5S2 MolecularWeight: 486.3998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=C(C2=CC=C(S2)S(=O)(=O)N3CCCCC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCCC3)\C(=O)O

InChI

InChI=1S/C19H20BrNO5S2/c1-26-16-6-5-14(20)11-13(16)12-15(19(22)23)17-7-8-18(27-17)28(24,25)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,23)/b15-12-