3-(2,5-dimethylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4S2/c1-14-6-7-15(2)16(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)