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

Systemtic Name: [2-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-[[2-methoxyethyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-[[isobutyryl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CCOC)CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(=O)N(CCOC)CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H27NO6S/c1-16(2)21(23)22(13-14-26-3)15-17-7-5-6-8-20(17)28-29(24,25)19-11-9-18(27-4)10-12-19/h5-12,16H,13-15H2,1-4H3