2-fluoranyl-N-[2-(phenylmethylsulfanyl)ethyl]-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-fluoranyl-N-[2-(phenylmethylsulfanyl)ethyl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-benzylsulfanylethyl)-2-fluoro-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-fluoro-N-[2-(phenylmethylthio)ethyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(benzylthio)ethyl]-2-fluoro-5-piperidinosulfonyl-benzamide Formula: C21H25FN2O3S2 MolecularWeight: 436.563203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C21H25FN2O3S2/c22-20-10-9-18(29(26,27)24-12-5-2-6-13-24)15-19(20)21(25)23-11-14-28-16-17-7-3-1-4-8-17/h1,3-4,7-10,15H,2,5-6,11-14,16H2,(H,23,25)