5-(2-oxidanylidenepropyl)-1-(phenylsulfonyl)-3H-indole-2,2-dicarboxylic acid

Systemtic Name: 5-(2-oxidanylidenepropyl)-1-(phenylsulfonyl)-3H-indole-2,2-dicarboxylic acid Openeye Name: 5-acetonyl-1-(benzenesulfonyl)indoline-2,2-dicarboxylic acid CAS Name: 1-(benzenesulfonyl)-5-(2-oxopropyl)-3H-indole-2,2-dicarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-5-(2-oxopropyl)-3H-indole-2,2-dicarboxylic acid Traditional Name: 5-acetonyl-1-besyl-indoline-2,2-dicarboxylic acid Formula: C19H17NO7S MolecularWeight: 403.40578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC2=C(C=C1)N(C(C2)(C(=O)O)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CC1=CC2=C(C=C1)N(C(C2)(C(=O)O)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H17NO7S/c1-12(21)9-13-7-8-16-14(10-13)11-19(17(22)23,18(24)25)20(16)28(26,27)15-5-3-2-4-6-15/h2-8,10H,9,11H2,1H3,(H,22,23)(H,24,25)