2-[5-(4-fluorophenyl)-3-methyl-4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)pyrazol-1-yl]-N-methyl-ethanesulfonamide

Systemtic Name: 2-[5-(4-fluorophenyl)-3-methyl-4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)pyrazol-1-yl]-N-methyl-ethanesulfonamide Openeye Name: 2-[5-(4-fluorophenyl)-3-methyl-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazol-1-yl]-N-methyl-ethanesulfonamide CAS Name: 2-[5-(4-fluorophenyl)-3-methyl-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-pyrazolyl]-N-methylethanesulfonamide IUPAC Name: 2-[5-(4-fluorophenyl)-3-methyl-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazol-1-yl]-N-methylethanesulfonamide Traditional Name: 2-[5-(4-fluorophenyl)-4-(3-keto-4H-1,4-benzoxazin-6-yl)-3-methyl-pyrazol-1-yl]-N-methyl-ethanesulfonamide Formula: C21H21FN4O4S MolecularWeight: 444.479243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=C(C=C4)F)CCS(=O)(=O)NC

Isomeric SMILES

CC1=NN(C(=C1C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=C(C=C4)F)CCS(=O)(=O)NC

InChI

InChI=1S/C21H21FN4O4S/c1-13-20(15-5-8-18-17(11-15)24-19(27)12-30-18)21(14-3-6-16(22)7-4-14)26(25-13)9-10-31(28,29)23-2/h3-8,11,23H,9-10,12H2,1-2H3,(H,24,27)