[3-[[butan-2-yl-(3-chlorophenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[butan-2-yl-(3-chlorophenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(3-chlorobenzoyl)-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl-[(3-chlorophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(3-chlorobenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(3-chlorobenzoyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C24H23ClFNO4S MolecularWeight: 475.960123

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C24H23ClFNO4S/c1-3-17(2)27(24(28)19-7-5-8-20(25)15-19)16-18-6-4-9-22(14-18)31-32(29,30)23-12-10-21(26)11-13-23/h4-15,17H,3,16H2,1-2H3