[4-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] benzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)COC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)COC

InChI

InChI=1S/C21H27NO6S/c1-21(2,3)27-20(23)22-17(15-26-4)14-16-10-12-18(13-11-16)28-29(24,25)19-8-6-5-7-9-19/h5-13,17H,14-15H2,1-4H3,(H,22,23)