N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(4-fluorobenzyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propionamide Formula: C19H22FN3O3S2 MolecularWeight: 423.524683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H22FN3O3S2/c1-14(19(24)22-12-15-4-6-16(20)7-5-15)27-18-9-8-17(13-21-18)28(25,26)23-10-2-3-11-23/h4-9,13-14H,2-3,10-12H2,1H3,(H,22,24)