3-[(Z)-1-oxidanyl-3-oxidanylidene-but-1-enyl]-1-(phenylsulfonyl)indole-5-carboxylic acid

Systemtic Name: 3-[(Z)-1-oxidanyl-3-oxidanylidene-but-1-enyl]-1-(phenylsulfonyl)indole-5-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-3-[(Z)-1-hydroxy-3-oxo-but-1-enyl]indole-5-carboxylic acid CAS Name: 1-(benzenesulfonyl)-3-[(Z)-1-hydroxy-3-oxobut-1-enyl]-5-indolecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-3-[(Z)-1-hydroxy-3-oxobut-1-enyl]indole-5-carboxylic acid Traditional Name: 1-besyl-3-[(Z)-1-hydroxy-3-keto-but-1-enyl]indole-5-carboxylic acid Formula: C19H15NO6S MolecularWeight: 385.3905

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=C(C1=CN(C2=C1C=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC(=O)/C=C(/C1=CN(C2=C1C=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3)\O

InChI

InChI=1S/C19H15NO6S/c1-12(21)9-18(22)16-11-20(27(25,26)14-5-3-2-4-6-14)17-8-7-13(19(23)24)10-15(16)17/h2-11,22H,1H3,(H,23,24)/b18-9-