(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(5-morpholinosulfonyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-[5-(4-morpholinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(5-morpholinosulfonyl-2-thienyl)acrylic acid Formula: C21H20ClN3O5S2 MolecularWeight: 493.9836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C2=CC=C(S2)S(=O)(=O)N3CCOCC3)C(=O)O)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCOCC3)\C(=O)O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3O5S2/c1-14-16(20(22)25(23-14)15-5-3-2-4-6-15)13-17(21(26)27)18-7-8-19(31-18)32(28,29)24-9-11-30-12-10-24/h2-8,13H,9-12H2,1H3,(H,26,27)/b17-13-