N-(3-chloranyl-4-cyano-phenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C21H24ClN4O3S+ MolecularWeight: 447.95826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C21H23ClN4O3S/c1-15-3-4-16(2)20(11-15)30(28,29)26-9-7-25(8-10-26)14-21(27)24-18-6-5-17(13-23)19(22)12-18/h3-6,11-12H,7-10,14H2,1-2H3,(H,24,27)/p+1