N-[(4-dimethylaminophenyl)methyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[4-(dimethylamino)benzyl]-2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetamide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H28N4O3S2/c1-24(2)18-8-6-17(7-9-18)14-22-20(26)16-29-21-11-10-19(15-23-21)30(27,28)25-12-4-3-5-13-25/h6-11,15H,3-5,12-14,16H2,1-2H3,(H,22,26)