[4-[[cyclopropyl-(2-fluorophenyl)carbonyl-amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [4-[[cyclopropyl-(2-fluorophenyl)carbonyl-amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[[cyclopropyl-(2-fluorobenzoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[[cyclopropyl-[(2-fluorophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[cyclopropyl-(2-fluorobenzoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[[cyclopropyl-(2-fluorobenzoyl)amino]methyl]phenyl] ester Formula: C24H22FNO5S MolecularWeight: 455.498583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CN(C3CC3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CN(C3CC3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C24H22FNO5S/c1-30-19-12-14-21(15-13-19)32(28,29)31-20-10-6-17(7-11-20)16-26(18-8-9-18)24(27)22-4-2-3-5-23(22)25/h2-7,10-15,18H,8-9,16H2,1H3