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

Systemtic Name: [5-[[butan-2-yl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-[[3,3-dimethylbutanoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[[butan-2-yl-(3,3-dimethyl-1-oxobutyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[[3,3-dimethylbutanoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H36N2O6S MolecularWeight: 504.63884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C26H36N2O6S/c1-8-18(2)28(25(30)16-26(4,5)6)17-20-9-14-23(33-7)24(15-20)34-35(31,32)22-12-10-21(11-13-22)27-19(3)29/h9-15,18H,8,16-17H2,1-7H3,(H,27,29)