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

Systemtic Name: [5-[4-(3-azanyl-4-methyl-phenyl)-3,6-dimethoxy-2-methylsulfonyloxy-phenyl]-2-phenylmethoxy-phenyl] methanesulfonate Openeye Name: [5-[4-(3-amino-4-methyl-phenyl)-3,6-dimethoxy-2-methylsulfonyloxy-phenyl]-2-benzyloxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[4-(3-amino-4-methylphenyl)-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] ester IUPAC Name: [5-[4-(3-amino-4-methylphenyl)-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[4-(3-amino-4-methyl-phenyl)-3,6-dimethoxy-2-methylsulfonyloxy-phenyl]-2-benzoxy-phenyl] ester Formula: C30H31NO9S2 MolecularWeight: 613.69844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=C(C(=C2OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C)OC)N

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=C(C(=C2OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C)OC)N

InChI

InChI=1S/C30H31NO9S2/c1-19-11-12-21(15-24(19)31)23-17-27(36-2)28(30(29(23)37-3)40-42(5,34)35)22-13-14-25(26(16-22)39-41(4,32)33)38-18-20-9-7-6-8-10-20/h6-17H,18,31H2,1-5H3