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

Systemtic Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-N,N-diethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-N,N-diethyl-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: 3-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-N,N-diethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-N,N-diethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: N,N-diethyl-3-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C24H33N4O4S2+ MolecularWeight: 505.67322

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3CCN(CC3)C4=CC=CC=C4OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3CCN(CC3)C4=CC=CC=C4OCC

InChI

InChI=1S/C24H32N4O4S2/c1-4-27(5-2)34(29,30)19-11-12-23-21(17-19)28(24(33)32-23)18-25-13-15-26(16-14-25)20-9-7-8-10-22(20)31-6-3/h7-12,17H,4-6,13-16,18H2,1-3H3/p+1