N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H27FN2O3S2/c1-17-9-10-18(15-21(17)30(27,28)25-12-5-2-6-13-25)22(26)24-11-14-29-16-19-7-3-4-8-20(19)23/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3,(H,24,26)