3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: 3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-[5-(1-piperidylsulfonyl)-2-thienyl]prop-2-enoic acid CAS Name: 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: 3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-(5-piperidinosulfonyl-2-thienyl)acrylic acid Formula: C22H21ClFN3O4S2 MolecularWeight: 510.001243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C2=CC=C(S2)S(=O)(=O)N3CCCCC3)C(=O)O)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1C=C(C2=CC=C(S2)S(=O)(=O)N3CCCCC3)C(=O)O)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21ClFN3O4S2/c1-14-17(21(23)27(25-14)16-7-5-15(24)6-8-16)13-18(22(28)29)19-9-10-20(32-19)33(30,31)26-11-3-2-4-12-26/h5-10,13H,2-4,11-12H2,1H3,(H,28,29)