N-(3-chloranyl-4-cyano-phenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C22H26ClN4O3S+ MolecularWeight: 461.98484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C22H25ClN4O3S/c1-16(2)17-4-7-20(8-5-17)31(29,30)27-11-9-26(10-12-27)15-22(28)25-19-6-3-18(14-24)21(23)13-19/h3-8,13,16H,9-12,15H2,1-2H3,(H,25,28)/p+1