[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl 4-methylbenzenesulfonate Openeye Name: [4-(tert-butoxycarbonylamino)cyclohexyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclohexyl]methyl ester IUPAC Name: [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(tert-butoxycarbonylamino)cyclohexyl]methyl ester Formula: C19H29NO5S MolecularWeight: 383.50226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(CC2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(CC2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H29NO5S/c1-14-5-11-17(12-6-14)26(22,23)24-13-15-7-9-16(10-8-15)20-18(21)25-19(2,3)4/h5-6,11-12,15-16H,7-10,13H2,1-4H3,(H,20,21)