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

Systemtic Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluoranyl-phenyl]-2-methyl-4-thiophen-2-yl-benzenesulfonamide Openeye Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluoro-phenyl]-2-methyl-4-(2-thienyl)benzenesulfonamide CAS Name: N-[5-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-2-fluorophenyl]-2-methyl-4-thiophen-2-ylbenzenesulfonamide IUPAC Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorophenyl]-2-methyl-4-thiophen-2-ylbenzenesulfonamide Traditional Name: N-[5-[(3S,5R)-3,5-dimethylpiperazino]-2-fluoro-phenyl]-2-methyl-4-(2-thienyl)benzenesulfonamide Formula: C23H26FN3O2S2 MolecularWeight: 459.599843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3O2S2/c1-15-11-18(22-5-4-10-30-22)6-9-23(15)31(28,29)26-21-12-19(7-8-20(21)24)27-13-16(2)25-17(3)14-27/h4-12,16-17,25-26H,13-14H2,1-3H3/t16-,17+