N-[3-[1-[5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-oxolan-2-yl]-5-(methylsulfonylamino)indol-3-yl]propyl]-3,3,3-tris(fluoranyl)propanamide

Systemtic Name: N-[3-[1-[5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-oxolan-2-yl]-5-(methylsulfonylamino)indol-3-yl]propyl]-3,3,3-tris(fluoranyl)propanamide Openeye Name: N-[3-[1-[5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxy-tetrahydrofuran-2-yl]-5-(methanesulfonamido)indol-3-yl]propyl]-3,3,3-trifluoro-propanamide CAS Name: N-[3-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphino]oxy-2-oxolanyl]-5-(methanesulfonamido)-3-indolyl]propyl]-3,3,3-trifluoropropanamide IUPAC Name: N-[3-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-5-(methanesulfonamido)indol-3-yl]propyl]-3,3,3-trifluoropropanamide Traditional Name: N-[3-[1-[5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphino]oxy-tetrahydrofuran-2-yl]-5-(methanesulfonamido)indol-3-yl]propyl]-3,3,3-trifluoro-propionamide Formula: C50H61F3N5O9PS MolecularWeight: 996.081411

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P(OCCC#N)OC1CC(OC1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=C(C6=C5C=CC(=C6)NS(=O)(=O)C)CCCNC(=O)CC(F)(F)F

Isomeric SMILES

CC(C)N(C(C)C)P(OCCC#N)OC1CC(OC1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=C(C6=C5C=CC(=C6)NS(=O)(=O)C)CCCNC(=O)CC(F)(F)F

InChI

InChI=1S/C50H61F3N5O9PS/c1-34(2)58(35(3)4)68(65-28-12-26-54)67-45-30-48(57-32-36(13-11-27-55-47(59)31-49(51,52)53)43-29-40(20-25-44(43)57)56-69(7,60)61)66-46(45)33-64-50(37-14-9-8-10-15-37,38-16-21-41(62-5)22-17-38)39-18-23-42(63-6)24-19-39/h8-10,14-25,29,32,34-35,45-46,48,56H,11-13,27-28,30-31,33H2,1-7H3,(H,55,59)