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

Systemtic Name: [4-[[cyclobutylcarbonyl(2-methylpropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[[cyclobutanecarbonyl(isobutyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[[[cyclobutyl(oxo)methyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[cyclobutanecarbonyl(2-methylpropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[[cyclobutanecarbonyl(isobutyl)amino]methyl]phenyl] ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5S/c1-17(2)15-24(23(25)19-5-4-6-19)16-18-7-9-21(10-8-18)29-30(26,27)22-13-11-20(28-3)12-14-22/h7-14,17,19H,4-6,15-16H2,1-3H3