(E)-3-(3-bromophenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(3-bromophenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(3-bromophenyl)-2-[5-(1-piperidylsulfonyl)-2-thienyl]prop-2-enoic acid CAS Name: (E)-3-(3-bromophenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(3-bromophenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(3-bromophenyl)-2-(5-piperidinosulfonyl-2-thienyl)acrylic acid Formula: C18H18BrNO4S2 MolecularWeight: 456.37382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO4S2/c19-14-6-4-5-13(11-14)12-15(18(21)22)16-7-8-17(25-16)26(23,24)20-9-2-1-3-10-20/h4-8,11-12H,1-3,9-10H2,(H,21,22)/b15-12-