N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-4-fluoranyl-2-methyl-benzenesulfonamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-4-fluoranyl-2-methyl-benzenesulfonamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-4-fluoro-2-methyl-benzenesulfonamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-(1-pyrrolidinyl)ethyl]-4-fluoro-2-methylbenzenesulfonamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ylethyl]-4-fluoro-2-methylbenzenesulfonamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidino-ethyl]-4-fluoro-2-methyl-benzenesulfonamide Formula: C21H28FN3O2S MolecularWeight: 405.529323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)S(=O)(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCCC3

InChI

InChI=1S/C21H28FN3O2S/c1-16-14-18(22)8-11-21(16)28(26,27)23-15-20(25-12-4-5-13-25)17-6-9-19(10-7-17)24(2)3/h6-11,14,20,23H,4-5,12-13,15H2,1-3H3