[5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxidanyl-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxidanyl-pentyl] 4-methylbenzenesulfonate Openeye Name: [5-[tert-butoxycarbonyl(methyl)amino]-2-hydroxy-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-5-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl] ester IUPAC Name: [2-hydroxy-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[tert-butoxycarbonyl(methyl)amino]-2-hydroxy-pentyl] ester Formula: C18H29NO6S MolecularWeight: 387.49096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCN(C)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCN(C)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C18H29NO6S/c1-14-8-10-16(11-9-14)26(22,23)24-13-15(20)7-6-12-19(5)17(21)25-18(2,3)4/h8-11,15,20H,6-7,12-13H2,1-5H3