[5-[[3,3-dimethylbutanoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [5-[[3,3-dimethylbutanoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-[[3,3-dimethylbutanoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[[(3,3-dimethyl-1-oxobutyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[3,3-dimethylbutanoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[[3,3-dimethylbutanoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H34N2O6S MolecularWeight: 490.61226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O6S/c1-17(2)27(24(29)15-25(4,5)6)16-19-8-13-22(32-7)23(14-19)33-34(30,31)21-11-9-20(10-12-21)26-18(3)28/h8-14,17H,15-16H2,1-7H3,(H,26,28)