[(4aR)-1-(4-fluorophenyl)-6-(phenylsulfonyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methanol

Systemtic Name: [(4aR)-1-(4-fluorophenyl)-6-(phenylsulfonyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methanol Openeye Name: [(4aR)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methanol CAS Name: [(4aR)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methanol IUPAC Name: [(4aR)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methanol Traditional Name: [(4aR)-6-besyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazol[3,4-g]isoquinolin-4a-yl]methanol Formula: C23H22FN3O3S MolecularWeight: 439.502483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2(C1=CC3=C(C2)C=NN3C4=CC=C(C=C4)F)CO)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(C[C@@]2(C1=CC3=C(C2)C=NN3C4=CC=C(C=C4)F)CO)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H22FN3O3S/c24-19-6-8-20(9-7-19)27-22-12-18-10-11-26(31(29,30)21-4-2-1-3-5-21)15-23(18,16-28)13-17(22)14-25-27/h1-9,12,14,28H,10-11,13,15-16H2/t23-/m1/s1