(4-cyclohexyl-1-oxidanyl-butyl) 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzenesulfonate

Systemtic Name: (4-cyclohexyl-1-oxidanyl-butyl) 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzenesulfonate Openeye Name: (4-cyclohexyl-1-hydroxy-butyl) 3-(tert-butoxycarbonylamino)-4-methyl-benzenesulfonate CAS Name: 4-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzenesulfonic acid (4-cyclohexyl-1-hydroxybutyl) ester IUPAC Name: (4-cyclohexyl-1-hydroxybutyl) 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzenesulfonate Traditional Name: 3-(tert-butoxycarbonylamino)-4-methyl-benzenesulfonic acid (4-cyclohexyl-1-hydroxy-butyl) ester Formula: C22H35NO6S MolecularWeight: 441.5814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC(CCCC2CCCCC2)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC(CCCC2CCCCC2)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H35NO6S/c1-16-13-14-18(15-19(16)23-21(25)28-22(2,3)4)30(26,27)29-20(24)12-8-11-17-9-6-5-7-10-17/h13-15,17,20,24H,5-12H2,1-4H3,(H,23,25)