N-methyl-N-[(4-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-methyl-N-[(4-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-methyl-N-(p-tolylmethyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-methyl-N-[(4-methylphenyl)methyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-methyl-N-[(4-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-methyl-N-(4-methylbenzyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CN(C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H25N3O3S2/c1-16-5-7-17(8-6-16)14-22(2)20(24)15-27-19-10-9-18(13-21-19)28(25,26)23-11-3-4-12-23/h5-10,13H,3-4,11-12,14-15H2,1-2H3