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

Systemtic Name: 2-(4-ethoxy-3-methoxy-phenyl)-4-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-2-(4-ethoxy-3-methoxy-phenyl)thiazole CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-2-(4-ethoxy-3-methoxyphenyl)thiazole IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole Traditional Name: 4-[(4-besylpiperazin-1-ium-1-yl)methyl]-2-(4-ethoxy-3-methoxy-phenyl)thiazole Formula: C23H28N3O4S2+ MolecularWeight: 474.61612

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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=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S2/c1-3-30-21-10-9-18(15-22(21)29-2)23-24-19(17-31-23)16-25-11-13-26(14-12-25)32(27,28)20-7-5-4-6-8-20/h4-10,15,17H,3,11-14,16H2,1-2H3/p+1