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

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(3,4-difluorophenyl)-5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzamide CAS Name: N-(3,4-difluorophenyl)-5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3,4-difluorophenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(3,4-difluorophenyl)-5-piperidinosulfonyl-2-pyrrolidino-benzamide Formula: C22H25F2N3O3S MolecularWeight: 449.514006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)C(=O)NC4=CC(=C(C=C4)F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)C(=O)NC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C22H25F2N3O3S/c23-19-8-6-16(14-20(19)24)25-22(28)18-15-17(7-9-21(18)26-10-4-5-11-26)31(29,30)27-12-2-1-3-13-27/h6-9,14-15H,1-5,10-13H2,(H,25,28)