4-chloranyl-N-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]benzenesulfonamide Openeye Name: 4-chloro-N-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]benzenesulfonamide CAS Name: 4-chloro-N-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]benzenesulfonamide Traditional Name: 4-chloro-N-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]benzenesulfonamide Formula: C18H22ClN4O3S+ MolecularWeight: 409.91028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN4O3S/c19-15-4-6-16(7-5-15)27(25,26)21-10-8-18(24)23-13-11-22(12-14-23)17-3-1-2-9-20-17/h1-7,9,21H,8,10-14H2/p+1