(2S)-N-(2,5-dimethylphenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propanamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propionamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O3S2/c1-15-7-8-16(2)19(13-15)23-21(25)17(3)28-20-10-9-18(14-22-20)29(26,27)24-11-5-4-6-12-24/h7-10,13-14,17H,4-6,11-12H2,1-3H3,(H,23,25)/t17-/m0/s1