N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-ethanoyl-benzenesulfonamide

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-ethanoyl-benzenesulfonamide Openeye Name: 4-acetyl-N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide CAS Name: 4-acetyl-N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O3S/c1-3-23-10-12-24(13-11-23)20-9-6-17(21)14-19(20)22-28(26,27)18-7-4-16(5-8-18)15(2)25/h4-9,14,22H,3,10-13H2,1-2H3/p+1