[3-[3-(methylsulfonylamino)-4-phenylmethoxy-phenyl]-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[3-(methylsulfonylamino)-4-phenylmethoxy-phenyl]-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-[4-benzyloxy-3-(methanesulfonamido)phenyl]-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]propyl] ester IUPAC Name: [2-hydroxy-3-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[4-benzoxy-3-(methanesulfonamido)phenyl]-2-hydroxy-propyl] ester Formula: C24H27NO7S2 MolecularWeight: 505.60368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC(=C(C=C2)OCC3=CC=CC=C3)NS(=O)(=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC(=C(C=C2)OCC3=CC=CC=C3)NS(=O)(=O)C)O

InChI

InChI=1S/C24H27NO7S2/c1-18-8-11-22(12-9-18)34(29,30)32-17-21(26)14-20-10-13-24(23(15-20)25-33(2,27)28)31-16-19-6-4-3-5-7-19/h3-13,15,21,25-26H,14,16-17H2,1-2H3