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

Systemtic Name: [2-[[cyclobutylcarbonyl(cyclopropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-[[[cyclobutyl(oxo)methyl]-cyclopropylamino]methyl]phenyl] ester IUPAC Name: [2-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]phenyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2CN(C3CC3)C(=O)C4CCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2CN(C3CC3)C(=O)C4CCC4

InChI

InChI=1S/C22H25NO5S/c1-27-19-11-13-20(14-12-19)29(25,26)28-21-8-3-2-5-17(21)15-23(18-9-10-18)22(24)16-6-4-7-16/h2-3,5,8,11-14,16,18H,4,6-7,9-10,15H2,1H3