2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(2,5-dimethylphenyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(2,5-dimethylphenyl)acetamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

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