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

Systemtic Name: [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propyl]phenyl] benzenesulfonate Openeye Name: [4-[2-(tert-butoxycarbonylamino)-3-hydroxy-propyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]phenyl] ester IUPAC Name: [4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[2-(tert-butoxycarbonylamino)-3-hydroxy-propyl]phenyl] ester Formula: C20H25NO6S MolecularWeight: 407.4806

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO6S/c1-20(2,3)26-19(23)21-16(14-22)13-15-9-11-17(12-10-15)27-28(24,25)18-7-5-4-6-8-18/h4-12,16,22H,13-14H2,1-3H3,(H,21,23)