2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]ethyl 4-methylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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