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

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

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO6S/c1-20(2,3)26-19(22)21-18(25-4)14-15-10-12-16(13-11-15)27-28(23,24)17-8-6-5-7-9-17/h5-13,18H,14H2,1-4H3,(H,21,22)