[5-[[cyclobutylcarbonyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [5-[[cyclobutylcarbonyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-[[cyclobutanecarbonyl(isopropyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[[[cyclobutyl(oxo)methyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[[cyclobutanecarbonyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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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)C3CCC3

Isomeric SMILES

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C3CCC3

InChI

InChI=1S/C24H30N2O6S/c1-16(2)26(24(28)19-6-5-7-19)15-18-8-13-22(31-4)23(14-18)32-33(29,30)21-11-9-20(10-12-21)25-17(3)27/h8-14,16,19H,5-7,15H2,1-4H3,(H,25,27)