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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H24ClN4O5S+ MolecularWeight: 467.94636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O5S/c1-14-3-5-17(11-15(14)2)31(29,30)24-9-7-23(8-10-24)13-20(26)22-19-6-4-16(25(27)28)12-18(19)21/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,26)/p+1