N-[3-(4-fluorophenyl)sulfanylpropyl]-2-methyl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-2-methyl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-2-methyl-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[3-[(4-fluorophenyl)thio]propyl]-2-methyl-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[3-[(4-fluorophenyl)thio]propyl]-2-methyl-5-piperidinosulfonyl-benzamide Formula: C22H27FN2O3S2 MolecularWeight: 450.589783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCCSC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O3S2/c1-17-6-11-20(30(27,28)25-13-3-2-4-14-25)16-21(17)22(26)24-12-5-15-29-19-9-7-18(23)8-10-19/h6-11,16H,2-5,12-15H2,1H3,(H,24,26)