4-(azepan-1-ylsulfonyl)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C24H32ClN4O3S+ MolecularWeight: 492.05388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H31ClN4O3S/c1-27-14-16-28(17-15-27)23-11-8-20(25)18-22(23)26-24(30)19-6-9-21(10-7-19)33(31,32)29-12-4-2-3-5-13-29/h6-11,18H,2-5,12-17H2,1H3,(H,26,30)/p+1