[4-[3-azanyl-2,5-dimethoxy-4-(3-oxidanyl-4-phenylmethoxy-phenyl)phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[3-azanyl-2,5-dimethoxy-4-(3-oxidanyl-4-phenylmethoxy-phenyl)phenyl]phenyl] methanesulfonate Openeye Name: [4-[3-amino-4-(4-benzyloxy-3-hydroxy-phenyl)-2,5-dimethoxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-amino-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl] ester IUPAC Name: [4-[3-amino-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[3-amino-4-(4-benzoxy-3-hydroxy-phenyl)-2,5-dimethoxy-phenyl]phenyl] ester Formula: C28H27NO7S MolecularWeight: 521.58148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27NO7S/c1-33-25-16-22(19-9-12-21(13-10-19)36-37(3,31)32)28(34-2)27(29)26(25)20-11-14-24(23(30)15-20)35-17-18-7-5-4-6-8-18/h4-16,30H,17,29H2,1-3H3