[2-methoxy-5-[[2-methylpropyl(naphthalen-1-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropyl(naphthalen-1-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[isobutyl(naphthalene-1-carbonyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[2-methylpropyl-[1-naphthalenyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl(naphthalene-1-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[isobutyl(1-naphthoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C29H28FNO5S MolecularWeight: 521.599723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H28FNO5S/c1-20(2)18-31(29(32)26-10-6-8-22-7-4-5-9-25(22)26)19-21-11-16-27(35-3)28(17-21)36-37(33,34)24-14-12-23(30)13-15-24/h4-17,20H,18-19H2,1-3H3