[2-[1-(phenylmethoxycarbonylamino)propyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[1-(phenylmethoxycarbonylamino)propyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[1-(benzyloxycarbonylamino)propyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[1-(phenylmethoxycarbonylamino)propyl]phenyl] ester IUPAC Name: [2-[1-(phenylmethoxycarbonylamino)propyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[1-(benzyloxycarbonylamino)propyl]phenyl] ester Formula: C24H25NO5S MolecularWeight: 439.524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H25NO5S/c1-3-22(25-24(26)29-17-19-9-5-4-6-10-19)21-11-7-8-12-23(21)30-31(27,28)20-15-13-18(2)14-16-20/h4-16,22H,3,17H2,1-2H3,(H,25,26)