2-(4-ethoxyphenyl)-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-(4-ethoxyphenyl)-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(4-ethoxyphenyl)-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(4-ethoxyphenyl)-4-[[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(4-ethoxyphenyl)-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-p-phenetyl-thiazole Formula: C22H25N4O5S2+ MolecularWeight: 489.5877

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O5S2/c1-2-31-19-9-7-17(8-10-19)22-23-18(16-32-22)15-24-11-13-25(14-12-24)33(29,30)21-6-4-3-5-20(21)26(27)28/h3-10,16H,2,11-15H2,1H3/p+1