(E)-3-(2,4-dimethylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoate

Systemtic Name: (E)-3-(2,4-dimethylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoate Openeye Name: (E)-3-(2,4-dimethylphenyl)-2-[5-(1-piperidylsulfonyl)-2-thienyl]prop-2-enoate CAS Name: (E)-3-(2,4-dimethylphenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-2-propenoate IUPAC Name: (E)-3-(2,4-dimethylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(2,4-dimethylphenyl)-2-(5-piperidinosulfonyl-2-thienyl)acrylate Formula: C20H22NO4S2- MolecularWeight: 404.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=C(C2=CC=C(S2)S(=O)(=O)N3CCCCC3)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCCC3)\C(=O)[O-])C

InChI

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