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

Systemtic Name: 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-(tert-butoxycarbonylamino)phenyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]ethyl ester IUPAC Name: 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[4-(tert-butoxycarbonylamino)phenyl]ethyl ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO5S/c1-15-5-11-18(12-6-15)27(23,24)25-14-13-16-7-9-17(10-8-16)21-19(22)26-20(2,3)4/h5-12H,13-14H2,1-4H3,(H,21,22)