[4-[2-[2-(methoxymethyl)morpholin-4-yl]ethyl]-2-[(4-methyl-3-oxidanyl-phenyl)methyl]piperazin-1-yl]-[3-morpholin-4-ylsulfonyl-5-(trifluoromethyl)phenyl]methanone

Systemtic Name: [4-[2-[2-(methoxymethyl)morpholin-4-yl]ethyl]-2-[(4-methyl-3-oxidanyl-phenyl)methyl]piperazin-1-yl]-[3-morpholin-4-ylsulfonyl-5-(trifluoromethyl)phenyl]methanone Openeye Name: [2-[(3-hydroxy-4-methyl-phenyl)methyl]-4-[2-[2-(methoxymethyl)morpholin-4-yl]ethyl]piperazin-1-yl]-[3-morpholinosulfonyl-5-(trifluoromethyl)phenyl]methanone CAS Name: [2-[(3-hydroxy-4-methylphenyl)methyl]-4-[2-[2-(methoxymethyl)-4-morpholinyl]ethyl]-1-piperazinyl]-[3-(4-morpholinylsulfonyl)-5-(trifluoromethyl)phenyl]methanone IUPAC Name: [2-[(3-hydroxy-4-methylphenyl)methyl]-4-[2-[2-(methoxymethyl)morpholin-4-yl]ethyl]piperazin-1-yl]-[3-morpholin-4-ylsulfonyl-5-(trifluoromethyl)phenyl]methanone Traditional Name: [2-(3-hydroxy-4-methyl-benzyl)-4-[2-[2-(methoxymethyl)morpholino]ethyl]piperazino]-[3-morpholinosulfonyl-5-(trifluoromethyl)phenyl]methanone Formula: C32H43F3N4O7S MolecularWeight: 684.76663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2CN(CCN2C(=O)C3=CC(=CC(=C3)S(=O)(=O)N4CCOCC4)C(F)(F)F)CCN5CCOC(C5)COC)O

Isomeric SMILES

CC1=C(C=C(C=C1)CC2CN(CCN2C(=O)C3=CC(=CC(=C3)S(=O)(=O)N4CCOCC4)C(F)(F)F)CCN5CCOC(C5)COC)O

InChI

InChI=1S/C32H43F3N4O7S/c1-23-3-4-24(16-30(23)40)15-27-20-36(5-6-37-9-14-46-28(21-37)22-44-2)7-8-39(27)31(41)25-17-26(32(33,34)35)19-29(18-25)47(42,43)38-10-12-45-13-11-38/h3-4,16-19,27-28,40H,5-15,20-22H2,1-2H3