N-phenyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-phenyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-phenyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-phenyl-3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-phenyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-phenyl-3-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-benzamide Formula: C22H23N4O3S+ MolecularWeight: 423.50802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3S/c27-22(24-19-8-2-1-3-9-19)18-7-6-10-20(17-18)30(28,29)26-15-13-25(14-16-26)21-11-4-5-12-23-21/h1-12,17H,13-16H2,(H,24,27)/p+1