(E)-3-[4-(3-methylbutoxy)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-[4-(3-methylbutoxy)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-isopentyloxyphenyl)-2-[5-(1-piperidylsulfonyl)-2-thienyl]prop-2-enoic acid CAS Name: (E)-3-[4-(3-methylbutoxy)phenyl]-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-methylbutoxy)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-isoamoxyphenyl)-2-(5-piperidinosulfonyl-2-thienyl)acrylic acid Formula: C23H29NO5S2 MolecularWeight: 463.61006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C=C(C2=CC=C(S2)S(=O)(=O)N3CCCCC3)C(=O)O

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCCC3)\C(=O)O

InChI

InChI=1S/C23H29NO5S2/c1-17(2)12-15-29-19-8-6-18(7-9-19)16-20(23(25)26)21-10-11-22(30-21)31(27,28)24-13-4-3-5-14-24/h6-11,16-17H,3-5,12-15H2,1-2H3,(H,25,26)/b20-16-