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

Systemtic Name: N-(4-chlorophenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(4-chlorophenyl)benzamide CAS Name: N-(4-chlorophenyl)-3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(4-chlorophenyl)benzamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(4-chlorophenyl)benzamide Formula: C24H25ClN3O3S+ MolecularWeight: 470.9916

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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)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H24ClN3O3S/c25-21-9-11-22(12-10-21)26-24(29)20-7-4-8-23(17-20)32(30,31)28-15-13-27(14-16-28)18-19-5-2-1-3-6-19/h1-12,17H,13-16,18H2,(H,26,29)/p+1