3-(3,5-dimethylphenyl)sulfonyl-4,5-bis(fluoranyl)-1H-indole-2-carboxylic acid

Systemtic Name: 3-(3,5-dimethylphenyl)sulfonyl-4,5-bis(fluoranyl)-1H-indole-2-carboxylic acid Openeye Name: 3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxylic acid CAS Name: 3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxylic acid IUPAC Name: 3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxylic acid Traditional Name: 3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxylic acid Formula: C17H13F2NO4S MolecularWeight: 365.351226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C(=C(C=C3)F)F)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C(=C(C=C3)F)F)C(=O)O)C

InChI

InChI=1S/C17H13F2NO4S/c1-8-5-9(2)7-10(6-8)25(23,24)16-13-12(20-15(16)17(21)22)4-3-11(18)14(13)19/h3-7,20H,1-2H3,(H,21,22)