2-[[3-[[1-[(E)-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]piperidin-4-yl]methoxy]-5-(trifluoromethyl)phenyl]-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[3-[[1-[(E)-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]piperidin-4-yl]methoxy]-5-(trifluoromethyl)phenyl]-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfonyl-amino]ethanoic acid Openeye Name: 2-[3-[[1-[(E)-(tert-butoxycarbonylhydrazono)methyl]-4-piperidyl]methoxy]-N-(2-tert-butoxycarbonylphenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid CAS Name: 2-[3-[[1-[(E)-[[(2-methylpropan-2-yl)oxy-oxomethyl]hydrazinylidene]methyl]-4-piperidinyl]methoxy]-N-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]sulfonyl-5-(trifluoromethyl)anilino]acetic acid IUPAC Name: 2-[3-[[1-[(E)-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]piperidin-4-yl]methoxy]-N-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfonyl-5-(trifluoromethyl)anilino]acetic acid Traditional Name: 2-[3-[[1-[(E)-(tert-butoxycarbonylhydrazono)methyl]-4-piperidyl]methoxy]-N-(2-tert-butoxycarbonylphenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid Formula: C32H41F3N4O9S MolecularWeight: 714.74955

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1S(=O)(=O)N(CC(=O)O)C2=CC(=CC(=C2)C(F)(F)F)OCC3CCN(CC3)C=NNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1S(=O)(=O)N(CC(=O)O)C2=CC(=CC(=C2)C(F)(F)F)OCC3CCN(CC3)/C=N/NC(=O)OC(C)(C)C

InChI

InChI=1S/C32H41F3N4O9S/c1-30(2,3)47-28(42)25-9-7-8-10-26(25)49(44,45)39(18-27(40)41)23-15-22(32(33,34)35)16-24(17-23)46-19-21-11-13-38(14-12-21)20-36-37-29(43)48-31(4,5)6/h7-10,15-17,20-21H,11-14,18-19H2,1-6H3,(H,37,43)(H,40,41)/b36-20+