4-[[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-N-(4-methoxyphenyl)benzamide

Systemtic Name: 4-[[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[4-(2-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-N-(4-methoxyphenyl)benzamide Formula: C26H27N4O4S+ MolecularWeight: 491.58198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H26N4O4S/c1-34-24-12-10-23(11-13-24)28-26(31)21-8-6-20(7-9-21)19-29-14-16-30(17-15-29)35(32,33)25-5-3-2-4-22(25)18-27/h2-13H,14-17,19H2,1H3,(H,28,31)/p+1