N-[1-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl]piperidin-4-yl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[1-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl]piperidin-4-yl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[1-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]-4-piperidyl]-4-fluoro-benzenesulfonamide CAS Name: N-[1-[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]-4-piperidinyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[1-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide Traditional Name: N-[1-[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]-4-piperidyl]-4-fluoro-benzenesulfonamide Formula: C21H22FN3O3S3 MolecularWeight: 479.611083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCC1NS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22FN3O3S3/c22-15-5-7-17(8-6-15)31(27,28)24-16-9-11-25(12-10-16)21(26)14-29-13-20-23-18-3-1-2-4-19(18)30-20/h1-8,16,24H,9-14H2