2-ethylsulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide

Systemtic Name: 2-ethylsulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 2-ethylsulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 2-ethylsulfonyl-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 2-ethylsulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 2-esyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-2-28(26,27)20-11-7-6-10-19(20)21(25)22-12-13-23-14-16-24(17-15-23)18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3,(H,22,25)/p+1