2-bromanyl-N-[(4-fluoranyl-3-methyl-phenyl)methyl]-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-bromanyl-N-[(4-fluoranyl-3-methyl-phenyl)methyl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-[(4-fluoro-3-methyl-phenyl)methyl]-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-bromo-N-[(4-fluoro-3-methylphenyl)methyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-[(4-fluoro-3-methylphenyl)methyl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-(4-fluoro-3-methyl-benzyl)-5-piperidinosulfonyl-benzamide Formula: C20H22BrFN2O3S MolecularWeight: 469.367683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Br)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Br)F

InChI

InChI=1S/C20H22BrFN2O3S/c1-14-11-15(5-8-19(14)22)13-23-20(25)17-12-16(6-7-18(17)21)28(26,27)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,23,25)