[2-methoxy-5-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-methoxy-5-[[2-methoxyethyl-(3-methyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [5-[[isovaleryl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H31NO7S MolecularWeight: 465.55974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CCOC)CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CC(=O)N(CCOC)CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C23H31NO7S/c1-17(2)14-23(25)24(12-13-28-3)16-18-6-11-21(30-5)22(15-18)31-32(26,27)20-9-7-19(29-4)8-10-20/h6-11,15,17H,12-14,16H2,1-5H3