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

Systemtic Name: 2-[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[3-(tert-butoxycarbonylamino)-4-methoxy-phenyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-methoxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]ethyl ester IUPAC Name: 2-[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[3-(tert-butoxycarbonylamino)-4-methoxy-phenyl]ethyl ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC(=C(C=C2)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC(=C(C=C2)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H27NO6S/c1-15-6-9-17(10-7-15)29(24,25)27-13-12-16-8-11-19(26-5)18(14-16)22-20(23)28-21(2,3)4/h6-11,14H,12-13H2,1-5H3,(H,22,23)