(E)-3-(4-hydroxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-hydroxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-hydroxyphenyl)-2-[5-(1-piperidylsulfonyl)-2-thienyl]prop-2-enoic acid CAS Name: (E)-3-(4-hydroxyphenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(4-hydroxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-hydroxyphenyl)-2-(5-piperidinosulfonyl-2-thienyl)acrylic acid Formula: C18H19NO5S2 MolecularWeight: 393.47716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5S2/c20-14-6-4-13(5-7-14)12-15(18(21)22)16-8-9-17(25-16)26(23,24)19-10-2-1-3-11-19/h4-9,12,20H,1-3,10-11H2,(H,21,22)/b15-12-