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

Systemtic Name: N-(2-methoxyphenyl)-3-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(2-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: N-(2-methoxyphenyl)-3-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(2-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C26H29N4O4S2+ MolecularWeight: 525.66286

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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)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3C[NH+]4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N4O4S2/c1-33-24-10-6-5-9-22(24)27-36(31,32)21-11-12-25-23(17-21)30(26(35)34-25)19-29-15-13-28(14-16-29)18-20-7-3-2-4-8-20/h2-12,17,27H,13-16,18-19H2,1H3/p+1