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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]benzamide Formula: C19H26N4O3S2 MolecularWeight: 422.56474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3S2/c1-22-14-10-21-19(22)27-15-11-20-18(24)16-6-8-17(9-7-16)28(25,26)23-12-4-2-3-5-13-23/h6-10,14H,2-5,11-13,15H2,1H3,(H,20,24)