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

Systemtic Name: 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(4-prop-2-enoxyphenyl)prop-2-enoic acid Openeye Name: 3-(4-allyloxyphenyl)-2-[5-(1-piperidylsulfonyl)-2-thienyl]prop-2-enoic acid CAS Name: 2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-3-(4-prop-2-enoxyphenyl)-2-propenoic acid IUPAC Name: 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(4-prop-2-enoxyphenyl)prop-2-enoic acid Traditional Name: 3-(4-allyloxyphenyl)-2-(5-piperidinosulfonyl-2-thienyl)acrylic acid Formula: C21H23NO5S2 MolecularWeight: 433.54102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S2/c1-2-14-27-17-8-6-16(7-9-17)15-18(21(23)24)19-10-11-20(28-19)29(25,26)22-12-4-3-5-13-22/h2,6-11,15H,1,3-5,12-14H2,(H,23,24)