5-[4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenoxy]sulfonylthiophene-3-carboxylic acid

Systemtic Name: 5-[4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenoxy]sulfonylthiophene-3-carboxylic acid Openeye Name: 5-[4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenoxy]sulfonylthiophene-3-carboxylic acid CAS Name: 5-[4-[(2,5-dimethylphenyl)sulfonyl-methylamino]phenoxy]sulfonyl-3-thiophenecarboxylic acid IUPAC Name: 5-[4-[(2,5-dimethylphenyl)sulfonyl-methylamino]phenoxy]sulfonylthiophene-3-carboxylic acid Traditional Name: 5-[4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenoxy]sulfonyl-3-thenoic acid Formula: C20H19NO7S3 MolecularWeight: 481.56236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C2=CC=C(C=C2)OS(=O)(=O)C3=CC(=CS3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C2=CC=C(C=C2)OS(=O)(=O)C3=CC(=CS3)C(=O)O

InChI

InChI=1S/C20H19NO7S3/c1-13-4-5-14(2)18(10-13)30(24,25)21(3)16-6-8-17(9-7-16)28-31(26,27)19-11-15(12-29-19)20(22)23/h4-12H,1-3H3,(H,22,23)