[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-phenyl-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-phenyl-pentyl] 4-methylbenzenesulfonate Openeye Name: [2-(tert-butoxycarbonylamino)-5-oxo-5-phenyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxo-5-phenylpentyl] ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(tert-butoxycarbonylamino)-5-keto-5-phenyl-pentyl] ester Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H29NO6S/c1-17-10-13-20(14-11-17)31(27,28)29-16-19(24-22(26)30-23(2,3)4)12-15-21(25)18-8-6-5-7-9-18/h5-11,13-14,19H,12,15-16H2,1-4H3,(H,24,26)