[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxy-propyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxy-propyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[3-benzyloxy-2-(tert-butoxycarbonylamino)propyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylmethoxypropyl]phenyl] ester IUPAC Name: [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[3-benzoxy-2-(tert-butoxycarbonylamino)propyl]phenyl] ester Formula: C28H33NO6S MolecularWeight: 511.62972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC(COCC3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC(COCC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H33NO6S/c1-21-10-16-26(17-11-21)36(31,32)35-25-14-12-22(13-15-25)18-24(29-27(30)34-28(2,3)4)20-33-19-23-8-6-5-7-9-23/h5-17,24H,18-20H2,1-4H3,(H,29,30)