N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluoranyl-phenyl]-3-fluoranyl-4-thiophen-2-yl-benzenesulfonamide

Systemtic Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluoranyl-phenyl]-3-fluoranyl-4-thiophen-2-yl-benzenesulfonamide Openeye Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluoro-phenyl]-3-fluoro-4-(2-thienyl)benzenesulfonamide CAS Name: N-[5-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-2-fluorophenyl]-3-fluoro-4-thiophen-2-ylbenzenesulfonamide IUPAC Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorophenyl]-3-fluoro-4-thiophen-2-ylbenzenesulfonamide Traditional Name: N-[5-[(3S,5R)-3,5-dimethylpiperazino]-2-fluoro-phenyl]-3-fluoro-4-(2-thienyl)benzenesulfonamide Formula: C22H23F2N3O2S2 MolecularWeight: 463.563726

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=CC(=C(C=C2)F)NS(=O)(=O)C3=CC(=C(C=C3)C4=CC=CS4)F

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=CC(=C(C=C2)F)NS(=O)(=O)C3=CC(=C(C=C3)C4=CC=CS4)F

InChI

InChI=1S/C22H23F2N3O2S2/c1-14-12-27(13-15(2)25-14)16-5-8-19(23)21(10-16)26-31(28,29)17-6-7-18(20(24)11-17)22-4-3-9-30-22/h3-11,14-15,25-26H,12-13H2,1-2H3/t14-,15+