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

Systemtic Name: [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[2-(tert-butoxycarbonylamino)propyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]phenyl] ester IUPAC Name: [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[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=C(C=C2)CC(C)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

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