[3-[[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isobutyl(1-naphthylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methylpropyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isobutyl(1-naphthylcarbamoyl)amino]methyl]phenyl] ester Formula: C28H27FN2O4S MolecularWeight: 506.588383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H27FN2O4S/c1-20(2)18-31(28(32)30-27-12-6-9-22-8-3-4-11-26(22)27)19-21-7-5-10-24(17-21)35-36(33,34)25-15-13-23(29)14-16-25/h3-17,20H,18-19H2,1-2H3,(H,30,32)