3-ethanoyl-2-methyl-5-oxidanyl-1-(phenylsulfonyl)indole-4-carboxylic acid

Systemtic Name: 3-ethanoyl-2-methyl-5-oxidanyl-1-(phenylsulfonyl)indole-4-carboxylic acid Openeye Name: 3-acetyl-1-(benzenesulfonyl)-5-hydroxy-2-methyl-indole-4-carboxylic acid CAS Name: 3-acetyl-1-(benzenesulfonyl)-5-hydroxy-2-methyl-4-indolecarboxylic acid IUPAC Name: 3-acetyl-1-(benzenesulfonyl)-5-hydroxy-2-methylindole-4-carboxylic acid Traditional Name: 3-acetyl-1-besyl-5-hydroxy-2-methyl-indole-4-carboxylic acid Formula: C18H15NO6S MolecularWeight: 373.3798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2C(=O)O)O)C(=O)C

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2C(=O)O)O)C(=O)C

InChI

InChI=1S/C18H15NO6S/c1-10-15(11(2)20)16-13(8-9-14(21)17(16)18(22)23)19(10)26(24,25)12-6-4-3-5-7-12/h3-9,21H,1-2H3,(H,22,23)