[3-[[cyclobutylcarbonyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [3-[[cyclobutylcarbonyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[cyclobutanecarbonyl(isopropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[[cyclobutyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[cyclobutanecarbonyl(isopropyl)amino]methyl]phenyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-16(2)23(22(24)18-7-5-8-18)15-17-6-4-9-20(14-17)28-29(25,26)21-12-10-19(27-3)11-13-21/h4,6,9-14,16,18H,5,7-8,15H2,1-3H3