3-[5-methoxy-1-(phenylsulfonyl)indol-2-yl]carbonylpyridine-4-carboxylic acid

Systemtic Name: 3-[5-methoxy-1-(phenylsulfonyl)indol-2-yl]carbonylpyridine-4-carboxylic acid Openeye Name: 3-[1-(benzenesulfonyl)-5-methoxy-indole-2-carbonyl]pyridine-4-carboxylic acid CAS Name: 3-[[1-(benzenesulfonyl)-5-methoxy-2-indolyl]-oxomethyl]-4-pyridinecarboxylic acid IUPAC Name: 3-[1-(benzenesulfonyl)-5-methoxyindole-2-carbonyl]pyridine-4-carboxylic acid Traditional Name: 3-(1-besyl-5-methoxy-indole-2-carbonyl)isonicotinic acid Formula: C22H16N2O6S MolecularWeight: 436.43724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=C2)C(=O)C3=C(C=CN=C3)C(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=C2)C(=O)C3=C(C=CN=C3)C(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H16N2O6S/c1-30-15-7-8-19-14(11-15)12-20(21(25)18-13-23-10-9-17(18)22(26)27)24(19)31(28,29)16-5-3-2-4-6-16/h2-13H,1H3,(H,26,27)