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

Systemtic Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-2-fluoranyl-4-thiophen-2-yl-benzenesulfonamide Openeye Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-2-fluoro-4-(2-thienyl)benzenesulfonamide CAS Name: N-[5-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-2-methoxyphenyl]-2-fluoro-4-thiophen-2-ylbenzenesulfonamide IUPAC Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-2-fluoro-4-thiophen-2-ylbenzenesulfonamide Traditional Name: N-[5-[(3R,5S)-3,5-dimethylpiperazino]-2-methoxy-phenyl]-2-fluoro-4-(2-thienyl)benzenesulfonamide Formula: C23H26FN3O3S2 MolecularWeight: 475.599243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3O3S2/c1-15-13-27(14-16(2)25-15)18-7-8-21(30-3)20(12-18)26-32(28,29)23-9-6-17(11-19(23)24)22-5-4-10-31-22/h4-12,15-16,25-26H,13-14H2,1-3H3/t15-,16+