[(4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [(4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-pyrrolidin-1-yl-methanone CAS Name: [(4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [(4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazol[3,4-g]isoquinolin-4a-yl]-pyrrolidino-methanone Formula: C31H35FN4O3S MolecularWeight: 562.698003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC4=C(CC3(C2)C(=O)N5CCCC5)C=NN4C6=CC=C(C=C6)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC4=C(C[C@@]3(C2)C(=O)N5CCCC5)C=NN4C6=CC=C(C=C6)F

InChI

InChI=1S/C31H35FN4O3S/c1-30(2,3)23-6-12-27(13-7-23)40(38,39)35-17-14-24-18-28-22(20-33-36(28)26-10-8-25(32)9-11-26)19-31(24,21-35)29(37)34-15-4-5-16-34/h6-13,18,20H,4-5,14-17,19,21H2,1-3H3/t31-/m0/s1