[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-phenyl]methyl]-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]piperazin-1-yl]-[3-(2,5-dimethylpyrrol-1-yl)sulfonyl-5-(trifluoromethyl)phenyl]methanone

Systemtic Name: [(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-phenyl]methyl]-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]piperazin-1-yl]-[3-(2,5-dimethylpyrrol-1-yl)sulfonyl-5-(trifluoromethyl)phenyl]methanone Openeye Name: [(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-phenyl]methyl]-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]piperazin-1-yl]-[3-(2,5-dimethylpyrrol-1-yl)sulfonyl-5-(trifluoromethyl)phenyl]methanone CAS Name: [(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methylphenyl]methyl]-4-[2-[(2S)-2-(methoxymethyl)-4-morpholinyl]ethyl]-1-piperazinyl]-[3-[(2,5-dimethyl-1-pyrrolyl)sulfonyl]-5-(trifluoromethyl)phenyl]methanone IUPAC Name: [(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methylphenyl]methyl]-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]piperazin-1-yl]-[3-(2,5-dimethylpyrrol-1-yl)sulfonyl-5-(trifluoromethyl)phenyl]methanone Traditional Name: [(2R)-2-[3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-benzyl]-4-[2-[(2S)-2-(methoxymethyl)morpholino]ethyl]piperazino]-[3-(2,5-dimethylpyrrol-1-yl)sulfonyl-5-(trifluoromethyl)phenyl]methanone Formula: C50H61F3N4O6SSi MolecularWeight: 931.18825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2CN(CCN2C(=O)C3=CC(=CC(=C3)S(=O)(=O)N4C(=CC=C4C)C)C(F)(F)F)CCN5CCOC(C5)COC)O[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C[C@@H]2CN(CCN2C(=O)C3=CC(=CC(=C3)S(=O)(=O)N4C(=CC=C4C)C)C(F)(F)F)CCN5CCO[C@@H](C5)COC)O[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C

InChI

InChI=1S/C50H61F3N4O6SSi/c1-36-18-21-39(29-47(36)63-65(49(4,5)6,45-14-10-8-11-15-45)46-16-12-9-13-17-46)28-42-33-54(22-23-55-26-27-62-43(34-55)35-61-7)24-25-56(42)48(58)40-30-41(50(51,52)53)32-44(31-40)64(59,60)57-37(2)19-20-38(57)3/h8-21,29-32,42-43H,22-28,33-35H2,1-7H3/t42-,43+/m1/s1