N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-pyridylthio)acetamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=N2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=N2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3O3S2/c1-16-9-10-17(22-19(24)15-27-20-8-4-5-11-21-20)14-18(16)28(25,26)23-12-6-2-3-7-13-23/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,22,24)