[3-[[(2-ethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(2-ethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(2-ethylphenyl)carbamoyl-isobutyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(2-ethylanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2-ethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(2-ethylphenyl)carbamoyl-isobutyl-amino]methyl]phenyl] ester Formula: C26H29FN2O4S MolecularWeight: 484.582863

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC(C)C

InChI

InChI=1S/C26H29FN2O4S/c1-4-21-9-5-6-11-25(21)28-26(30)29(17-19(2)3)18-20-8-7-10-23(16-20)33-34(31,32)24-14-12-22(27)13-15-24/h5-16,19H,4,17-18H2,1-3H3,(H,28,30)