N-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]-N-(cyanomethyl)-2-methyl-benzenesulfonamide

Systemtic Name: N-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]-N-(cyanomethyl)-2-methyl-benzenesulfonamide Openeye Name: N-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]-N-(cyanomethyl)-2-methyl-benzenesulfonamide CAS Name: N-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]-N-(cyanomethyl)-2-methylbenzenesulfonamide IUPAC Name: N-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]-N-(cyanomethyl)-2-methylbenzenesulfonamide Traditional Name: N-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopent[f]indazol-5-yl]methyl]-N-(cyanomethyl)-2-methyl-benzenesulfonamide Formula: C27H27FN4O2S MolecularWeight: 490.592283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N(CC#N)CC2CCC3=CC4=C(CC23C)C=NN4C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N(CC#N)C[C@H]2CCC3=CC4=C(C[C@]23C)C=NN4C5=CC=C(C=C5)F

InChI

InChI=1S/C27H27FN4O2S/c1-19-5-3-4-6-26(19)35(33,34)31(14-13-29)18-22-8-7-21-15-25-20(16-27(21,22)2)17-30-32(25)24-11-9-23(28)10-12-24/h3-6,9-12,15,17,22H,7-8,14,16,18H2,1-2H3/t22-,27+/m1/s1