N-[(3-fluorophenyl)methyl]-N-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide

Systemtic Name: N-[(3-fluorophenyl)methyl]-N-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-[(3-fluorophenyl)methyl]-N-methyl-benzamide CAS Name: N-[(3-fluorophenyl)methyl]-N-methyl-3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-[(3-fluorophenyl)methyl]-N-methylbenzamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(3-fluorobenzyl)-N-methyl-benzamide Formula: C26H29FN3O3S+ MolecularWeight: 482.590163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28FN3O3S/c1-28(19-22-9-5-11-24(27)17-22)26(31)23-10-6-12-25(18-23)34(32,33)30-15-13-29(14-16-30)20-21-7-3-2-4-8-21/h2-12,17-18H,13-16,19-20H2,1H3/p+1