(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(3-fluorobenzyl)-N-methyl-2-[(5-morpholinosulfonyl-2-pyridyl)thio]propionamide Formula: C20H24FN3O4S2 MolecularWeight: 453.550663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC(=CC=C1)F)SC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[C@@H](C(=O)N(C)CC1=CC(=CC=C1)F)SC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H24FN3O4S2/c1-15(20(25)23(2)14-16-4-3-5-17(21)12-16)29-19-7-6-18(13-22-19)30(26,27)24-8-10-28-11-9-24/h3-7,12-13,15H,8-11,14H2,1-2H3/t15-/m0/s1