N-(2,3-dimethylcyclohexyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propionamide Formula: C21H33N3O3S2 MolecularWeight: 439.63502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H33N3O3S2/c1-15-8-7-9-19(16(15)2)23-21(25)17(3)28-20-11-10-18(14-22-20)29(26,27)24-12-5-4-6-13-24/h10-11,14-17,19H,4-9,12-13H2,1-3H3,(H,23,25)