[4-[2-(phenylmethoxycarbonylamino)butyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[2-(phenylmethoxycarbonylamino)butyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[2-(benzyloxycarbonylamino)butyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[2-(phenylmethoxycarbonylamino)butyl]phenyl] ester IUPAC Name: [4-[2-(phenylmethoxycarbonylamino)butyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[2-(benzyloxycarbonylamino)butyl]phenyl] ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H27NO5S/c1-3-22(26-25(27)30-18-21-7-5-4-6-8-21)17-20-11-13-23(14-12-20)31-32(28,29)24-15-9-19(2)10-16-24/h4-16,22H,3,17-18H2,1-2H3,(H,26,27)