[3-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [3-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[(3,3-dimethyl-1-oxobutyl)-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C23H31NO6S MolecularWeight: 449.56034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO6S/c1-23(2,3)16-22(25)24(13-14-28-4)17-18-7-6-8-20(15-18)30-31(26,27)21-11-9-19(29-5)10-12-21/h6-12,15H,13-14,16-17H2,1-5H3