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

Systemtic Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-N,N-diethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-N,N-diethyl-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-N,N-diethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-N,N-diethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-N,N-diethyl-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C24H33N4O3S2+ MolecularWeight: 489.67382

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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(=C4C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C24H32N4O3S2/c1-5-27(6-2)33(29,30)20-10-11-23-22(16-20)28(24(32)31-23)17-25-12-14-26(15-13-25)21-9-7-8-18(3)19(21)4/h7-11,16H,5-6,12-15,17H2,1-4H3/p+1