N-[(2-fluorophenyl)methyl]-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide

Systemtic Name: N-[(2-fluorophenyl)methyl]-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-[(2-fluorophenyl)methyl]benzamide CAS Name: N-[(2-fluorophenyl)methyl]-3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-[(2-fluorophenyl)methyl]benzamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(2-fluorobenzyl)benzamide Formula: C25H27FN3O3S+ MolecularWeight: 468.563583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4F

InChI

InChI=1S/C25H26FN3O3S/c26-24-12-5-4-9-22(24)18-27-25(30)21-10-6-11-23(17-21)33(31,32)29-15-13-28(14-16-29)19-20-7-2-1-3-8-20/h1-12,17H,13-16,18-19H2,(H,27,30)/p+1