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

Systemtic Name: [3-[[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[m-tolylcarbamoyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl-[(3-methylanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[m-tolylcarbamoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C25H27FN2O4S MolecularWeight: 470.556283

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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)F)C(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27FN2O4S/c1-4-19(3)28(25(29)27-22-9-5-7-18(2)15-22)17-20-8-6-10-23(16-20)32-33(30,31)24-13-11-21(26)12-14-24/h5-16,19H,4,17H2,1-3H3,(H,27,29)