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

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

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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=CSC=C4)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=CSC=C4)F

InChI

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