5-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-phenyl-triazole-4-carboxamide CAS Name: 5-methyl-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: 5-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-phenyltriazole-4-carboxamide Traditional Name: 5-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-phenyl-triazole-4-carboxamide Formula: C21H25N6O3S+ MolecularWeight: 441.5266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C21H24N6O3S/c1-16-20(24-27(23-16)18-6-4-3-5-7-18)21(28)22-17-8-10-19(11-9-17)31(29,30)26-14-12-25(2)13-15-26/h3-11H,12-15H2,1-2H3,(H,22,28)/p+1