2-[5-[4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenoxy]sulfonylthiophen-2-yl]ethanoic acid

Systemtic Name: 2-[5-[4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenoxy]sulfonylthiophen-2-yl]ethanoic acid Openeye Name: 2-[5-[4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenoxy]sulfonyl-2-thienyl]acetic acid CAS Name: 2-[5-[4-[(2,5-dimethylphenyl)sulfonyl-methylamino]phenoxy]sulfonyl-2-thiophenyl]acetic acid IUPAC Name: 2-[5-[4-[(2,5-dimethylphenyl)sulfonyl-methylamino]phenoxy]sulfonylthiophen-2-yl]acetic acid Traditional Name: 2-[5-[4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenoxy]sulfonyl-2-thienyl]acetic acid Formula: C21H21NO7S3 MolecularWeight: 495.58894

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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=C(S3)CC(=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=C(S3)CC(=O)O

InChI

InChI=1S/C21H21NO7S3/c1-14-4-5-15(2)19(12-14)31(25,26)22(3)16-6-8-17(9-7-16)29-32(27,28)21-11-10-18(30-21)13-20(23)24/h4-12H,13H2,1-3H3,(H,23,24)