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

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S/c1-27-19-11-13-21(14-12-19)29(25,26)28-20-9-5-16(6-10-20)15-23(18-7-8-18)22(24)17-3-2-4-17/h5-6,9-14,17-18H,2-4,7-8,15H2,1H3