[2-methoxy-5-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-methoxy-5-[[2-methoxyethyl-(3-methyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[[isovaleryl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C24H32N2O7S MolecularWeight: 492.58508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O7S/c1-17(2)14-24(28)26(12-13-31-4)16-19-6-11-22(32-5)23(15-19)33-34(29,30)21-9-7-20(8-10-21)25-18(3)27/h6-11,15,17H,12-14,16H2,1-5H3,(H,25,27)