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

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(2,4-dimethylbenzyl)-N-methyl-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S2/c1-16-6-7-18(17(2)12-16)14-23(3)21(25)15-28-20-9-8-19(13-22-20)29(26,27)24-10-4-5-11-24/h6-9,12-13H,4-5,10-11,14-15H2,1-3H3