[5-[4-(4-aminophenyl)-3,6-dimethoxy-2-methylsulfonyloxy-phenyl]-2-phenylmethoxy-phenyl] methanesulfonate

Systemtic Name: [5-[4-(4-aminophenyl)-3,6-dimethoxy-2-methylsulfonyloxy-phenyl]-2-phenylmethoxy-phenyl] methanesulfonate Openeye Name: [5-[4-(4-aminophenyl)-3,6-dimethoxy-2-methylsulfonyloxy-phenyl]-2-benzyloxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[4-(4-aminophenyl)-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] ester IUPAC Name: [5-[4-(4-aminophenyl)-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[4-(4-aminophenyl)-3,6-dimethoxy-2-methylsulfonyloxy-phenyl]-2-benzoxy-phenyl] ester Formula: C29H29NO9S2 MolecularWeight: 599.67186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)N)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)N)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C

InChI

InChI=1S/C29H29NO9S2/c1-35-26-17-23(20-10-13-22(30)14-11-20)28(36-2)29(39-41(4,33)34)27(26)21-12-15-24(25(16-21)38-40(3,31)32)37-18-19-8-6-5-7-9-19/h5-17H,18,30H2,1-4H3