N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-3-[(4-phenyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-3-(4-phenylpiperazino)sulfonyl-benzamide Formula: C26H37N4O3S+ MolecularWeight: 485.66198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C26H36N4O3S/c1-26(2,29-14-7-4-8-15-29)21-27-25(31)22-10-9-13-24(20-22)34(32,33)30-18-16-28(17-19-30)23-11-5-3-6-12-23/h3,5-6,9-13,20H,4,7-8,14-19,21H2,1-2H3,(H,27,31)/p+1