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

Systemtic Name: [3-[[3,3-dimethylbutanoyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[3,3-dimethylbutanoyl(isopropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[(3,3-dimethyl-1-oxobutyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[3,3-dimethylbutanoyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[3,3-dimethylbutanoyl(isopropyl)amino]methyl]phenyl] ester Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO5S/c1-17(2)24(22(25)15-23(3,4)5)16-18-8-7-9-20(14-18)29-30(26,27)21-12-10-19(28-6)11-13-21/h7-14,17H,15-16H2,1-6H3