N-(4-fluoranyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(3-pyridylmethyl)isonipecotamide Formula: C25H22F2N4O3S2 MolecularWeight: 528.593986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N(CC2=CN=CC=C2)C3=NC4=C(C=CC=C4S3)F)S(=O)(=O)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCC1C(=O)N(CC2=CN=CC=C2)C3=NC4=C(C=CC=C4S3)F)S(=O)(=O)C5=CC=CC=C5F

InChI

InChI=1S/C25H22F2N4O3S2/c26-19-6-1-2-9-22(19)36(33,34)30-13-10-18(11-14-30)24(32)31(16-17-5-4-12-28-15-17)25-29-23-20(27)7-3-8-21(23)35-25/h1-9,12,15,18H,10-11,13-14,16H2