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

Systemtic Name: (E)-3-(2-methoxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(2-methoxyphenyl)-2-[5-(1-piperidylsulfonyl)-2-thienyl]prop-2-enoic acid CAS Name: (E)-3-(2-methoxyphenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(2-methoxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(2-methoxyphenyl)-2-(5-piperidinosulfonyl-2-thienyl)acrylic acid Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=C(C2=CC=C(S2)S(=O)(=O)N3CCCCC3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCCC3)\C(=O)O

InChI

InChI=1S/C19H21NO5S2/c1-25-16-8-4-3-7-14(16)13-15(19(21)22)17-9-10-18(26-17)27(23,24)20-11-5-2-6-12-20/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,22)/b15-13-