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

Systemtic Name: [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxy-propyl]phenyl] benzenesulfonate Openeye Name: [4-[3-benzyloxy-2-(tert-butoxycarbonylamino)propyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic 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] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[3-benzoxy-2-(tert-butoxycarbonylamino)propyl]phenyl] ester Formula: C27H31NO6S MolecularWeight: 497.60314

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)C2=CC=CC=C2)COCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO6S/c1-27(2,3)33-26(29)28-23(20-32-19-22-10-6-4-7-11-22)18-21-14-16-24(17-15-21)34-35(30,31)25-12-8-5-9-13-25/h4-17,23H,18-20H2,1-3H3,(H,28,29)