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

Systemtic Name: (E)-3-(4-ethylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-ethylphenyl)-2-[5-(1-piperidylsulfonyl)-2-thienyl]prop-2-enoic acid CAS Name: (E)-3-(4-ethylphenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(4-ethylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-ethylphenyl)-2-(5-piperidinosulfonyl-2-thienyl)acrylic acid Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C(C2=CC=C(S2)S(=O)(=O)N3CCCCC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCCC3)\C(=O)O

InChI

InChI=1S/C20H23NO4S2/c1-2-15-6-8-16(9-7-15)14-17(20(22)23)18-10-11-19(26-18)27(24,25)21-12-4-3-5-13-21/h6-11,14H,2-5,12-13H2,1H3,(H,22,23)/b17-14-