3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]benzamide Formula: C19H25ClN4O3S2 MolecularWeight: 457.0098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H25ClN4O3S2/c1-23-12-8-22-19(23)28-13-9-21-18(25)15-6-7-16(20)17(14-15)29(26,27)24-10-4-2-3-5-11-24/h6-8,12,14H,2-5,9-11,13H2,1H3,(H,21,25)