(E)-3-(4-bromanyl-2-fluoranyl-phenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-bromanyl-2-fluoranyl-phenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-bromo-2-fluoro-phenyl)-2-[5-(1-piperidylsulfonyl)-2-thienyl]prop-2-enoic acid CAS Name: (E)-3-(4-bromo-2-fluorophenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(4-bromo-2-fluorophenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-bromo-2-fluoro-phenyl)-2-(5-piperidinosulfonyl-2-thienyl)acrylic acid Formula: C18H17BrFNO4S2 MolecularWeight: 474.364283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C(=CC3=C(C=C(C=C3)Br)F)C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)/C(=C/C3=C(C=C(C=C3)Br)F)/C(=O)O

InChI

InChI=1S/C18H17BrFNO4S2/c19-13-5-4-12(15(20)11-13)10-14(18(22)23)16-6-7-17(26-16)27(24,25)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,22,23)/b14-10-