2-[4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[2-ethylsulfonyl-4-(p-tolylsulfonyl)thiazol-5-yl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-5-thiazolyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(2-esyl-4-tosyl-thiazol-5-yl)piperazin-1-ium-1-yl]ethanol Formula: C18H26N3O5S3+ MolecularWeight: 460.61114

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC(=C(S1)N2CC[NH+](CC2)CCO)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCS(=O)(=O)C1=NC(=C(S1)N2CC[NH+](CC2)CCO)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H25N3O5S3/c1-3-28(23,24)18-19-16(29(25,26)15-6-4-14(2)5-7-15)17(27-18)21-10-8-20(9-11-21)12-13-22/h4-7,22H,3,8-13H2,1-2H3/p+1