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

Systemtic Name: [4-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[[isopropyl(3-methylbutanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[[(3-methyl-1-oxobutyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[[isopropyl(isovaleryl)amino]methyl]phenyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5S/c1-16(2)14-22(24)23(17(3)4)15-18-6-8-20(9-7-18)28-29(25,26)21-12-10-19(27-5)11-13-21/h6-13,16-17H,14-15H2,1-5H3