2-[(3-bromophenyl)methylsulfonylmethyl]-3-oxidanylidene-2,4-dihydro-1H-quinoxaline-6-carboxylic acid

Systemtic Name: 2-[(3-bromophenyl)methylsulfonylmethyl]-3-oxidanylidene-2,4-dihydro-1H-quinoxaline-6-carboxylic acid Openeye Name: 2-[(3-bromophenyl)methylsulfonylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid CAS Name: 2-[(3-bromophenyl)methylsulfonylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid IUPAC Name: 2-[(3-bromophenyl)methylsulfonylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid Traditional Name: 2-[(3-bromobenzyl)sulfonylmethyl]-3-keto-2,4-dihydro-1H-quinoxaline-6-carboxylic acid Formula: C17H15BrN2O5S MolecularWeight: 439.2804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CS(=O)(=O)CC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)CS(=O)(=O)CC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C17H15BrN2O5S/c18-12-3-1-2-10(6-12)8-26(24,25)9-15-16(21)20-14-7-11(17(22)23)4-5-13(14)19-15/h1-7,15,19H,8-9H2,(H,20,21)(H,22,23)