8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octyl 4-methylbenzenesulfonate

Systemtic Name: 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octyl 4-methylbenzenesulfonate Openeye Name: 8-[tert-butoxycarbonyl(methyl)amino]octyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 8-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]octyl ester IUPAC Name: 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 8-[tert-butoxycarbonyl(methyl)amino]octyl ester Formula: C21H35NO5S MolecularWeight: 413.5713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCN(C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCN(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H35NO5S/c1-18-12-14-19(15-13-18)28(24,25)26-17-11-9-7-6-8-10-16-22(5)20(23)27-21(2,3)4/h12-15H,6-11,16-17H2,1-5H3