4-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide CAS Name: 4-[4-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide Formula: C21H24N5O5S2+ MolecularWeight: 490.57576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5S2/c1-31-17-4-2-15(3-5-17)21-23-16(14-32-21)13-24-8-10-25(11-9-24)19-7-6-18(33(22,29)30)12-20(19)26(27)28/h2-7,12,14H,8-11,13H2,1H3,(H2,22,29,30)/p+1