N-[1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]piperidin-4-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]piperidin-4-yl]-4-fluoranyl-benzamide Openeye Name: N-[1-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]-4-piperidyl]-4-fluoro-benzamide CAS Name: N-[1-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-4-piperidinyl]-4-fluorobenzamide IUPAC Name: N-[1-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]piperidin-4-yl]-4-fluorobenzamide Traditional Name: N-[1-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]-4-piperidyl]-4-fluoro-benzamide Formula: C21H22BrFN2O2S MolecularWeight: 465.378983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCC(CC2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCC(CC2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22BrFN2O2S/c1-14-12-16(22)4-7-19(14)28-13-20(26)25-10-8-18(9-11-25)24-21(27)15-2-5-17(23)6-3-15/h2-7,12,18H,8-11,13H2,1H3,(H,24,27)