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

Systemtic Name: 5-bromanyl-1-(phenylsulfonyl)-3H-indole-2,2-dicarboxylic acid Openeye Name: 1-(benzenesulfonyl)-5-bromo-indoline-2,2-dicarboxylic acid CAS Name: 1-(benzenesulfonyl)-5-bromo-3H-indole-2,2-dicarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-5-bromo-3H-indole-2,2-dicarboxylic acid Traditional Name: 1-besyl-5-bromo-indoline-2,2-dicarboxylic acid Formula: C16H12BrNO6S MolecularWeight: 426.23858

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)Br)N(C1(C(=O)O)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1C2=C(C=CC(=C2)Br)N(C1(C(=O)O)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H12BrNO6S/c17-11-6-7-13-10(8-11)9-16(14(19)20,15(21)22)18(13)25(23,24)12-4-2-1-3-5-12/h1-8H,9H2,(H,19,20)(H,21,22)