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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-[(4-methoxyphenyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-p-anisyl-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propionamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S2/c1-15(20(24)22-13-16-5-7-17(27-2)8-6-16)28-19-10-9-18(14-21-19)29(25,26)23-11-3-4-12-23/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,22,24)