N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-fluorophenyl)sulfonyl-isonipecotamide Formula: C22H24FN3O3S2 MolecularWeight: 461.572663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCC1C(=O)NCCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C22H24FN3O3S2/c23-17-6-1-4-9-20(17)31(28,29)26-14-11-16(12-15-26)22(27)24-13-5-10-21-25-18-7-2-3-8-19(18)30-21/h1-4,6-9,16H,5,10-15H2,(H,24,27)