ethyl 2-[3-[1-[3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-oxidanyl-propyl]piperidin-4-yl]-2-oxidanylidene-benzimidazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[1-[3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-oxidanyl-propyl]piperidin-4-yl]-2-oxidanylidene-benzimidazol-1-yl]ethanoate Openeye Name: ethyl 2-[3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]-4-piperidyl]-2-oxo-benzimidazol-1-yl]acetate CAS Name: 2-[3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]-4-piperidinyl]-2-oxo-1-benzimidazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetate Traditional Name: 2-[3-[1-[2-hydroxy-3-[5-mesyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]-4-piperidyl]-2-keto-benzimidazol-1-yl]acetic acid ethyl ester Formula: C33H39F3N6O6S MolecularWeight: 704.75957

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)CC(CN4C5=C(CN(CC5)S(=O)(=O)C)C(=N4)C6=CC=C(C=C6)C(F)(F)F)O

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)CC(CN4C5=C(CN(CC5)S(=O)(=O)C)C(=N4)C6=CC=C(C=C6)C(F)(F)F)O

InChI

InChI=1S/C33H39F3N6O6S/c1-3-48-30(44)21-40-28-6-4-5-7-29(28)42(32(40)45)24-12-15-38(16-13-24)18-25(43)19-41-27-14-17-39(49(2,46)47)20-26(27)31(37-41)22-8-10-23(11-9-22)33(34,35)36/h4-11,24-25,43H,3,12-21H2,1-2H3