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

Systemtic Name: N-[1-[3,4-bis(fluoranyl)phenyl]ethyl]-2-methyl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-5-piperidinosulfonyl-benzamide Formula: C21H24F2N2O3S MolecularWeight: 422.488666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24F2N2O3S/c1-14-6-8-17(29(27,28)25-10-4-3-5-11-25)13-18(14)21(26)24-15(2)16-7-9-19(22)20(23)12-16/h6-9,12-13,15H,3-5,10-11H2,1-2H3,(H,24,26)