[4-[4-(4-azanyl-3-methoxy-phenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[4-(4-azanyl-3-methoxy-phenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-amino-3-methoxy-phenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-(4-amino-3-methoxyphenyl)-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[4-(4-amino-3-methoxyphenyl)-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-amino-3-methoxy-phenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C23H25NO9S2 MolecularWeight: 523.5759

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C=C(C(=C2OS(=O)(=O)C)OC)C3=CC=C(C=C3)OS(=O)(=O)C)OC)N

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C=C(C(=C2OS(=O)(=O)C)OC)C3=CC=C(C=C3)OS(=O)(=O)C)OC)N

InChI

InChI=1S/C23H25NO9S2/c1-29-19-12-15(8-11-18(19)24)21-20(30-2)13-17(22(31-3)23(21)33-35(5,27)28)14-6-9-16(10-7-14)32-34(4,25)26/h6-13H,24H2,1-5H3