N-[3,4-bis(fluoranyl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(3,4-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(3,4-difluorophenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(3,4-difluorophenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(3,4-difluorophenyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propionamide Formula: C18H19F2N3O3S2 MolecularWeight: 427.488566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)F)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)F)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H19F2N3O3S2/c1-12(18(24)22-13-4-6-15(19)16(20)10-13)27-17-7-5-14(11-21-17)28(25,26)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3,(H,22,24)