[4-chloranyl-2-[[2-dimethylaminoethyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[2-dimethylaminoethyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[[2-dimethylaminoethyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[2-dimethylaminoethyl-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[2-dimethylaminoethyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[2-dimethylaminoethyl(2-thenoyl)amino]methyl]phenyl] ester Formula: C22H22ClFN2O4S2 MolecularWeight: 497.002483

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CS3

Isomeric SMILES

CN(C)CCN(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H22ClFN2O4S2/c1-25(2)11-12-26(22(27)21-4-3-13-31-21)15-16-14-17(23)5-10-20(16)30-32(28,29)19-8-6-18(24)7-9-19/h3-10,13-14H,11-12,15H2,1-2H3