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

Systemtic Name: 3-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]propyl 4-methylbenzenesulfonate Openeye Name: 3-[3-[tert-butoxycarbonyl(methyl)amino]phenyl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[3-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]propyl ester IUPAC Name: 3-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[3-[tert-butoxycarbonyl(methyl)amino]phenyl]propyl ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC(=CC=C2)N(C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC(=CC=C2)N(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29NO5S/c1-17-11-13-20(14-12-17)29(25,26)27-15-7-9-18-8-6-10-19(16-18)23(5)21(24)28-22(2,3)4/h6,8,10-14,16H,7,9,15H2,1-5H3