[5-[[butan-2-yl(cyclopropylcarbonyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[butan-2-yl(cyclopropylcarbonyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[cyclopropanecarbonyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl-[cyclopropyl(oxo)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[cyclopropanecarbonyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H26FNO5S MolecularWeight: 435.508943

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CC3

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CC3

InChI

InChI=1S/C22H26FNO5S/c1-4-15(2)24(22(25)17-6-7-17)14-16-5-12-20(28-3)21(13-16)29-30(26,27)19-10-8-18(23)9-11-19/h5,8-13,15,17H,4,6-7,14H2,1-3H3