N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C19H26N4O3S2 MolecularWeight: 422.56474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=CN2C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=CN2C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H26N4O3S2/c1-15-7-8-16(21-18(24)14-27-19-20-9-12-22(19)2)13-17(15)28(25,26)23-10-5-3-4-6-11-23/h7-9,12-13H,3-6,10-11,14H2,1-2H3,(H,21,24)