N-(3-chloranyl-2-methyl-phenyl)-2-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroanilino]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroanilino]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]acetamide Formula: C20H25ClN5O5S+ MolecularWeight: 482.961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24ClN5O5S/c1-14-16(21)4-3-5-17(14)23-20(27)13-22-18-7-6-15(12-19(18)26(28)29)32(30,31)25-10-8-24(2)9-11-25/h3-7,12,22H,8-11,13H2,1-2H3,(H,23,27)/p+1