[4-[[2-dimethylaminoethyl-(2-fluorophenyl)carbonyl-amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[2-dimethylaminoethyl-(2-fluorophenyl)carbonyl-amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[2-dimethylaminoethyl-(2-fluorobenzoyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[2-dimethylaminoethyl-(2-fluorobenzoyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[2-dimethylaminoethyl-(2-fluorobenzoyl)amino]methyl]phenyl] ester Formula: C21H27FN2O4S MolecularWeight: 422.513483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CCN(C)C)C(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CCN(C)C)C(=O)C2=CC=CC=C2F

InChI

InChI=1S/C21H27FN2O4S/c1-16(2)29(26,27)28-18-11-9-17(10-12-18)15-24(14-13-23(3)4)21(25)19-7-5-6-8-20(19)22/h5-12,16H,13-15H2,1-4H3