(1-oxidanyl-4-phenyl-butyl) 4-methyl-3-(phenylmethoxycarbonylamino)benzenesulfonate

Systemtic Name: (1-oxidanyl-4-phenyl-butyl) 4-methyl-3-(phenylmethoxycarbonylamino)benzenesulfonate Openeye Name: (1-hydroxy-4-phenyl-butyl) 3-(benzyloxycarbonylamino)-4-methyl-benzenesulfonate CAS Name: 4-methyl-3-(phenylmethoxycarbonylamino)benzenesulfonic acid (1-hydroxy-4-phenylbutyl) ester IUPAC Name: (1-hydroxy-4-phenylbutyl) 4-methyl-3-(phenylmethoxycarbonylamino)benzenesulfonate Traditional Name: 3-(benzyloxycarbonylamino)-4-methyl-benzenesulfonic acid (1-hydroxy-4-phenyl-butyl) ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC(CCCC2=CC=CC=C2)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC(CCCC2=CC=CC=C2)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H27NO6S/c1-19-15-16-22(17-23(19)26-25(28)31-18-21-11-6-3-7-12-21)33(29,30)32-24(27)14-8-13-20-9-4-2-5-10-20/h2-7,9-12,15-17,24,27H,8,13-14,18H2,1H3,(H,26,28)