3-azanyl-1-butyl-4-(2-phenoxyphenyl)sulfonyl-2-piperidin-1-yl-N-[2,2,2-tris(fluoranyl)ethyl]-9H-fluorene-9-carboxamide

Systemtic Name: 3-azanyl-1-butyl-4-(2-phenoxyphenyl)sulfonyl-2-piperidin-1-yl-N-[2,2,2-tris(fluoranyl)ethyl]-9H-fluorene-9-carboxamide Openeye Name: 3-amino-1-butyl-4-(2-phenoxyphenyl)sulfonyl-2-(1-piperidyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide CAS Name: 3-amino-1-butyl-4-(2-phenoxyphenyl)sulfonyl-2-(1-piperidinyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide IUPAC Name: 3-amino-1-butyl-4-(2-phenoxyphenyl)sulfonyl-2-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide Traditional Name: 3-amino-1-butyl-4-(2-phenoxyphenyl)sulfonyl-2-piperidino-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide Formula: C37H38F3N3O4S MolecularWeight: 677.77553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C2=C1C(C3=CC=CC=C32)C(=O)NCC(F)(F)F)S(=O)(=O)C4=CC=CC=C4OC5=CC=CC=C5)N)N6CCCCC6

Isomeric SMILES

CCCCC1=C(C(=C(C2=C1C(C3=CC=CC=C32)C(=O)NCC(F)(F)F)S(=O)(=O)C4=CC=CC=C4OC5=CC=CC=C5)N)N6CCCCC6

InChI

InChI=1S/C37H38F3N3O4S/c1-2-3-16-27-30-31(25-17-8-9-18-26(25)32(30)36(44)42-23-37(38,39)40)35(33(41)34(27)43-21-12-5-13-22-43)48(45,46)29-20-11-10-19-28(29)47-24-14-6-4-7-15-24/h4,6-11,14-15,17-20,32H,2-3,5,12-13,16,21-23,41H2,1H3,(H,42,44)