[5-[[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-methoxy-5-[[m-tolylcarbamoyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl-[(3-methylanilino)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[m-tolylcarbamoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C26H29FN2O5S MolecularWeight: 500.582263

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)NC3=CC=CC(=C3)C

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C26H29FN2O5S/c1-5-19(3)29(26(30)28-22-8-6-7-18(2)15-22)17-20-9-14-24(33-4)25(16-20)34-35(31,32)23-12-10-21(27)11-13-23/h6-16,19H,5,17H2,1-4H3,(H,28,30)