N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(2,6-dimethyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2,6-dimethylpyrimidin-4-yl)thio]acetamide Formula: C20H26N4O3S2 MolecularWeight: 434.57544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H26N4O3S2/c1-15-13-20(22-16(2)21-15)28-14-19(25)23-17-7-9-18(10-8-17)29(26,27)24-11-5-3-4-6-12-24/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,23,25)