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

Systemtic Name: [3-[[cyclobutylcarbonyl(cyclopropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[[cyclobutyl(oxo)methyl]-cyclopropylamino]methyl]phenyl] ester IUPAC Name: [3-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[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(=C2)CN(C3CC3)C(=O)C4CCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CN(C3CC3)C(=O)C4CCC4

InChI

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