5-[2-[(2,4-dimethylphenyl)sulfonyl-ethanoyl-amino]ethyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[2-[(2,4-dimethylphenyl)sulfonyl-ethanoyl-amino]ethyl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[2-[acetyl-(2,4-dimethylphenyl)sulfonyl-amino]ethyl]benzofuran-2-carboxylic acid CAS Name: 5-[2-[acetyl-(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-benzofurancarboxylic acid IUPAC Name: 5-[2-[acetyl-(2,4-dimethylphenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[2-[acetyl-(2,4-dimethylphenyl)sulfonyl-amino]ethyl]coumarilic acid Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N(CCC2=CC3=C(C=C2)OC(=C3)C(=O)O)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N(CCC2=CC3=C(C=C2)OC(=C3)C(=O)O)C(=O)C)C

InChI

InChI=1S/C21H21NO6S/c1-13-4-7-20(14(2)10-13)29(26,27)22(15(3)23)9-8-16-5-6-18-17(11-16)12-19(28-18)21(24)25/h4-7,10-12H,8-9H2,1-3H3,(H,24,25)