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

Systemtic Name: [4-chloranyl-2-[[2-dimethylaminoethyl(ethylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[[2-dimethylaminoethyl(ethylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[2-dimethylaminoethyl(ethylcarbamoyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[2-dimethylaminoethyl(ethylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[2-dimethylaminoethyl(ethylcarbamoyl)amino]methyl]phenyl] ester Formula: C20H25ClFN3O4S MolecularWeight: 457.946603

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CCN(C)C)CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCNC(=O)N(CCN(C)C)CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H25ClFN3O4S/c1-4-23-20(26)25(12-11-24(2)3)14-15-13-16(21)5-10-19(15)29-30(27,28)18-8-6-17(22)7-9-18/h5-10,13H,4,11-12,14H2,1-3H3,(H,23,26)