2-butyl-3-(2-methylphenyl)sulfonyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-3-ium-4-carboxylic acid

Systemtic Name: 2-butyl-3-(2-methylphenyl)sulfonyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-3-ium-4-carboxylic acid Openeye Name: 2-butyl-3-(o-tolylsulfonyl)-3-(p-tolylsulfonyl)thiazolidin-3-ium-4-carboxylic acid CAS Name: 2-butyl-3-(2-methylphenyl)sulfonyl-3-(4-methylphenyl)sulfonyl-4-thiazolidin-3-iumcarboxylic acid IUPAC Name: 2-butyl-3-(2-methylphenyl)sulfonyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-3-ium-4-carboxylic acid Traditional Name: 2-butyl-3-(o-tolylsulfonyl)-3-tosyl-thiazolidin-3-ium-4-carboxylic acid Formula: C22H28NO6S3+ MolecularWeight: 498.65582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1[N+](C(CS1)C(=O)O)(S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCC1[N+](C(CS1)C(=O)O)(S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=CC=C3C

InChI

InChI=1S/C22H27NO6S3/c1-4-5-10-21-23(19(15-30-21)22(24)25,31(26,27)18-13-11-16(2)12-14-18)32(28,29)20-9-7-6-8-17(20)3/h6-9,11-14,19,21H,4-5,10,15H2,1-3H3/p+1