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

Systemtic Name: [5-[[butan-2-yl(butylcarbamoyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[butylcarbamoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl-[butylamino(oxo)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(butylcarbamoyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[butylcarbamoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H31FN2O5S MolecularWeight: 466.566043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31FN2O5S/c1-5-7-14-25-23(27)26(17(3)6-2)16-18-8-13-21(30-4)22(15-18)31-32(28,29)20-11-9-19(24)10-12-20/h8-13,15,17H,5-7,14,16H2,1-4H3,(H,25,27)