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

Systemtic Name: N-(4-methylsulfonylphenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)benzamide CAS Name: N-(4-methylsulfonylphenyl)-3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)benzamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(4-mesylphenyl)benzamide Formula: C25H28N3O5S2+ MolecularWeight: 514.63692

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O5S2/c1-34(30,31)23-12-10-22(11-13-23)26-25(29)21-8-5-9-24(18-21)35(32,33)28-16-14-27(15-17-28)19-20-6-3-2-4-7-20/h2-13,18H,14-17,19H2,1H3,(H,26,29)/p+1