N-[2-[4-[[5-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-2-propyl-imidazo[4,5-c]pyridin-3-yl]methyl]-3-fluoranyl-phenyl]phenyl]sulfonyl-3-phenyl-propanamide

Systemtic Name: N-[2-[4-[[5-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-2-propyl-imidazo[4,5-c]pyridin-3-yl]methyl]-3-fluoranyl-phenyl]phenyl]sulfonyl-3-phenyl-propanamide Openeye Name: N-[2-[4-[[5-[2-(tert-butylamino)-2-oxo-ethyl]-4-oxo-2-propyl-imidazo[4,5-c]pyridin-3-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonyl-3-phenyl-propanamide CAS Name: N-[2-[4-[[5-[2-(tert-butylamino)-2-oxoethyl]-4-oxo-2-propyl-3-imidazo[4,5-c]pyridinyl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide IUPAC Name: N-[2-[4-[[5-[2-(tert-butylamino)-2-oxoethyl]-4-oxo-2-propylimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide Traditional Name: N-[2-[4-[[5-[2-(tert-butylamino)-2-keto-ethyl]-4-keto-2-propyl-imidazo[4,5-c]pyridin-3-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonyl-3-phenyl-propionamide Formula: C37H40FN5O5S MolecularWeight: 685.807403

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)CCC5=CC=CC=C5)F)C(=O)N(C=C2)CC(=O)NC(C)(C)C

Isomeric SMILES

CCCC1=NC2=C(N1CC3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)CCC5=CC=CC=C5)F)C(=O)N(C=C2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C37H40FN5O5S/c1-5-11-32-39-30-20-21-42(24-34(45)40-37(2,3)4)36(46)35(30)43(32)23-27-18-17-26(22-29(27)38)28-14-9-10-15-31(28)49(47,48)41-33(44)19-16-25-12-7-6-8-13-25/h6-10,12-15,17-18,20-22H,5,11,16,19,23-24H2,1-4H3,(H,40,45)(H,41,44)