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

Systemtic Name: [4-[[cyclobutylcarbonyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[[cyclobutanecarbonyl(isopropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[[[cyclobutyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[[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=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)C3CCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-16(2)23(22(24)18-5-4-6-18)15-17-7-9-20(10-8-17)28-29(25,26)21-13-11-19(27-3)12-14-21/h7-14,16,18H,4-6,15H2,1-3H3