(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)methanone

Systemtic Name: (3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)methanone Openeye Name: (3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-(4-fluoro-3-morpholinosulfonyl-phenyl)methanone CAS Name: [3,5-dimethyl-4-(phenylthio)-1-pyrazolyl]-[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: (3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: [3,5-dimethyl-4-(phenylthio)pyrazol-1-yl]-(4-fluoro-3-morpholinosulfonyl-phenyl)methanone Formula: C22H22FN3O4S2 MolecularWeight: 475.556183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)C)SC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)C)SC4=CC=CC=C4

InChI

InChI=1S/C22H22FN3O4S2/c1-15-21(31-18-6-4-3-5-7-18)16(2)26(24-15)22(27)17-8-9-19(23)20(14-17)32(28,29)25-10-12-30-13-11-25/h3-9,14H,10-13H2,1-2H3