N-(3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S2/c1-14-9-15(2)11-16(10-14)21-18(23)13-26-19-6-5-17(12-20-19)27(24,25)22-7-3-4-8-22/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H,21,23)