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

Systemtic Name: [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxy-propyl]phenyl] methanesulfonate Openeye Name: [4-[3-benzyloxy-2-(tert-butoxycarbonylamino)propyl]phenyl] methanesulfonate CAS Name: methanesulfonic 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] methanesulfonate Traditional Name: methanesulfonic acid [4-[3-benzoxy-2-(tert-butoxycarbonylamino)propyl]phenyl] ester Formula: C22H29NO6S MolecularWeight: 435.53376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C)COCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C)COCC2=CC=CC=C2

InChI

InChI=1S/C22H29NO6S/c1-22(2,3)28-21(24)23-19(16-27-15-18-8-6-5-7-9-18)14-17-10-12-20(13-11-17)29-30(4,25)26/h5-13,19H,14-16H2,1-4H3,(H,23,24)