[4-[[butan-2-yl(naphthalen-1-ylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27FN2O4S/c1-3-20(2)31(28(32)30-27-10-6-8-22-7-4-5-9-26(22)27)19-21-11-15-24(16-12-21)35-36(33,34)25-17-13-23(29)14-18-25/h4-18,20H,3,19H2,1-2H3,(H,30,32)