4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazole

Systemtic Name: 4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazole Openeye Name: 4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-(4-ethoxy-3-methoxy-phenyl)thiazole CAS Name: 4-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-(4-ethoxy-3-methoxyphenyl)thiazole IUPAC Name: 4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole Traditional Name: 4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-(4-ethoxy-3-methoxy-phenyl)thiazole Formula: C25H32N3O4S2+ MolecularWeight: 502.66928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)C)C)OC

InChI

InChI=1S/C25H31N3O4S2/c1-5-32-23-9-7-20(15-24(23)31-4)25-26-21(17-33-25)16-27-10-12-28(13-11-27)34(29,30)22-8-6-18(2)19(3)14-22/h6-9,14-15,17H,5,10-13,16H2,1-4H3/p+1