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

Systemtic Name: [2-[[cyclobutylcarbonyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-[[cyclobutanecarbonyl(isopropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-[[[cyclobutyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-[[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=C1OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)C3CCC3

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)C3CCC3

InChI

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