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

Systemtic Name: 3-(2-ethoxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: 3-(2-ethoxyphenyl)-2-[5-(1-piperidylsulfonyl)-2-thienyl]prop-2-enoic acid CAS Name: 3-(2-ethoxyphenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: 3-(2-ethoxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: 3-o-phenetyl-2-(5-piperidinosulfonyl-2-thienyl)acrylic acid Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=C(C2=CC=C(S2)S(=O)(=O)N3CCCCC3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C=C(C2=CC=C(S2)S(=O)(=O)N3CCCCC3)C(=O)O

InChI

InChI=1S/C20H23NO5S2/c1-2-26-17-9-5-4-8-15(17)14-16(20(22)23)18-10-11-19(27-18)28(24,25)21-12-6-3-7-13-21/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,22,23)