3-(4-ethoxy-3-methoxy-phenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: 3-(4-ethoxy-3-methoxy-phenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: 3-(4-ethoxy-3-methoxy-phenyl)-2-[5-(1-piperidylsulfonyl)-2-thienyl]prop-2-enoic acid CAS Name: 3-(4-ethoxy-3-methoxyphenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: 3-(4-ethoxy-3-methoxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: 3-(4-ethoxy-3-methoxy-phenyl)-2-(5-piperidinosulfonyl-2-thienyl)acrylic acid Formula: C21H25NO6S2 MolecularWeight: 451.5563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S2/c1-3-28-17-8-7-15(14-18(17)27-2)13-16(21(23)24)19-9-10-20(29-19)30(25,26)22-11-5-4-6-12-22/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,24)