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

Systemtic Name: [3-[[butan-2-yl(cyclobutylcarbonyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[cyclobutanecarbonyl(sec-butyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[butan-2-yl-[cyclobutyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(cyclobutanecarbonyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[cyclobutanecarbonyl(sec-butyl)amino]methyl]phenyl] ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5S/c1-4-17(2)24(23(25)19-8-6-9-19)16-18-7-5-10-21(15-18)29-30(26,27)22-13-11-20(28-3)12-14-22/h5,7,10-15,17,19H,4,6,8-9,16H2,1-3H3