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

Systemtic Name: [4-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[[2-methoxyethyl-(3-methyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[[isovaleryl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO6S/c1-17(2)15-22(24)23(13-14-27-3)16-18-5-7-20(8-6-18)29-30(25,26)21-11-9-19(28-4)10-12-21/h5-12,17H,13-16H2,1-4H3