N-(2-methoxyphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N-(2-methoxyphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: N-(2-methoxyphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: N-(2-methoxyphenyl)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: N-(2-methoxyphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: N-(2-methoxyphenyl)-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C23H25N6O4S2+ MolecularWeight: 513.6124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H24N6O4S2/c1-32-20-6-3-2-5-18(20)26-35(30,31)17-7-8-21-19(15-17)29(23(34)33-21)16-27-11-13-28(14-12-27)22-24-9-4-10-25-22/h2-10,15,26H,11-14,16H2,1H3/p+1