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

Systemtic Name: [5-[[butan-2-yl(propan-2-ylcarbamoyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[isopropylcarbamoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(propan-2-ylcarbamoyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[isopropylcarbamoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H29FN2O5S MolecularWeight: 452.539463

Click to see the large picture

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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN2O5S/c1-6-16(4)25(22(26)24-15(2)3)14-17-7-12-20(29-5)21(13-17)30-31(27,28)19-10-8-18(23)9-11-19/h7-13,15-16H,6,14H2,1-5H3,(H,24,26)