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

Systemtic Name: [4-[3-aminocarbonyl-2,5-dimethoxy-4-(3-methylsulfonyloxy-4-phenylmethoxy-phenyl)phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-benzyloxy-3-methylsulfonyloxy-phenyl)-3-carbamoyl-2,5-dimethoxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-carbamoyl-2,5-dimethoxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] ester IUPAC Name: [4-[3-carbamoyl-2,5-dimethoxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-benzoxy-3-methylsulfonyloxy-phenyl)-3-carbamoyl-2,5-dimethoxy-phenyl]phenyl] ester Formula: C30H29NO10S2 MolecularWeight: 627.68196

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

InChI

InChI=1S/C30H29NO10S2/c1-37-26-17-23(20-10-13-22(14-11-20)40-42(3,33)34)29(38-2)28(30(31)32)27(26)21-12-15-24(25(16-21)41-43(4,35)36)39-18-19-8-6-5-7-9-19/h5-17H,18H2,1-4H3,(H2,31,32)