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

Systemtic Name: N-(4-methoxyphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: N-(4-methoxyphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: N-(4-methoxyphenyl)-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: N-(4-methoxyphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: N-(4-methoxyphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C24H27N5O4S2+2 MolecularWeight: 513.63228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H25N5O4S2/c1-32-19-7-5-18(6-8-19)26-35(30,31)20-9-10-22-21(16-20)29(24(34)33-22)17-27-12-14-28(15-13-27)23-4-2-3-11-25-23/h2-11,16,26H,12-15,17H2,1H3/p+2