[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[2-(tert-butoxycarbonylamino)propyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]phenyl] ester IUPAC Name: [3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[2-(tert-butoxycarbonylamino)propyl]phenyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CC(C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CC(C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H27NO5S/c1-15-9-11-19(12-10-15)28(24,25)27-18-8-6-7-17(14-18)13-16(2)22-20(23)26-21(3,4)5/h6-12,14,16H,13H2,1-5H3,(H,22,23)