[3,5-di(propan-2-yl)-4-[2-[4-[2-[[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]sulfanyl]ethyl]piperazin-1-yl]ethanoylamino]phenyl] methanesulfonate

Systemtic Name: [3,5-di(propan-2-yl)-4-[2-[4-[2-[[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]sulfanyl]ethyl]piperazin-1-yl]ethanoylamino]phenyl] methanesulfonate Openeye Name: [3,5-diisopropyl-4-[[2-[4-[2-[[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]sulfanyl]ethyl]piperazin-1-yl]acetyl]amino]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[1-oxo-2-[4-[2-[[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]thio]ethyl]-1-piperazinyl]ethyl]amino]-3,5-di(propan-2-yl)phenyl] ester IUPAC Name: [3,5-di(propan-2-yl)-4-[[2-[4-[2-[[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]sulfanyl]ethyl]piperazin-1-yl]acetyl]amino]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3,5-diisopropyl-4-[[2-[4-[2-[[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]thio]ethyl]piperazino]acetyl]amino]phenyl] ester Formula: C29H37F3N4O5S2 MolecularWeight: 642.75309

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC(=C4O3)C(F)(F)F)C(C)C)OS(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC(=CC(=C1NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC(=C4O3)C(F)(F)F)C(C)C)OS(=O)(=O)C

InChI

InChI=1S/C29H37F3N4O5S2/c1-18(2)21-15-20(41-43(5,38)39)16-22(19(3)4)26(21)34-25(37)17-36-11-9-35(10-12-36)13-14-42-28-33-24-8-6-7-23(27(24)40-28)29(30,31)32/h6-8,15-16,18-19H,9-14,17H2,1-5H3,(H,34,37)