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

Systemtic Name: [5-[[butan-2-yl(naphthalen-1-ylcarbamoyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-methoxy-5-[[1-naphthylcarbamoyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(naphthalen-1-ylcarbamoyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[1-naphthylcarbamoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C29H29FN2O5S MolecularWeight: 536.614363

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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=CC4=CC=CC=C43

Isomeric SMILES

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

InChI

InChI=1S/C29H29FN2O5S/c1-4-20(2)32(29(33)31-26-11-7-9-22-8-5-6-10-25(22)26)19-21-12-17-27(36-3)28(18-21)37-38(34,35)24-15-13-23(30)14-16-24/h5-18,20H,4,19H2,1-3H3,(H,31,33)