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

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(2,4-dimethylbenzyl)-N-methyl-2-[(5-morpholinosulfonyl-2-pyridyl)thio]acetamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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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)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C21H27N3O4S2/c1-16-4-5-18(17(2)12-16)14-23(3)21(25)15-29-20-7-6-19(13-22-20)30(26,27)24-8-10-28-11-9-24/h4-7,12-13H,8-11,14-15H2,1-3H3