[3-[[cyclopropyl-(2,6-dimethoxyphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[cyclopropyl-(2,6-dimethoxyphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[cyclopropyl-(2,6-dimethoxybenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[cyclopropyl-[(2,6-dimethoxyphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclopropyl-(2,6-dimethoxybenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[cyclopropyl-(2,6-dimethoxybenzoyl)amino]methyl]phenyl] ester Formula: C25H24FNO6S MolecularWeight: 485.524563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C4CC4

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C4CC4

InChI

InChI=1S/C25H24FNO6S/c1-31-22-7-4-8-23(32-2)24(22)25(28)27(19-11-12-19)16-17-5-3-6-20(15-17)33-34(29,30)21-13-9-18(26)10-14-21/h3-10,13-15,19H,11-12,16H2,1-2H3