2-[(3-bromophenyl)methylsulfonylmethyl]-N-cyclooctyl-3-oxidanylidene-2,4-dihydro-1H-quinoxaline-6-carboxamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfonylmethyl]-N-cyclooctyl-3-oxidanylidene-2,4-dihydro-1H-quinoxaline-6-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfonylmethyl]-N-cyclooctyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide CAS Name: 2-[(3-bromophenyl)methylsulfonylmethyl]-N-cyclooctyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfonylmethyl]-N-cyclooctyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide Traditional Name: 2-[(3-bromobenzyl)sulfonylmethyl]-N-cyclooctyl-3-keto-2,4-dihydro-1H-quinoxaline-6-carboxamide Formula: C25H30BrN3O4S MolecularWeight: 548.4924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CS(=O)(=O)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CS(=O)(=O)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C25H30BrN3O4S/c26-19-8-6-7-17(13-19)15-34(32,33)16-23-25(31)29-22-14-18(11-12-21(22)28-23)24(30)27-20-9-4-2-1-3-5-10-20/h6-8,11-14,20,23,28H,1-5,9-10,15-16H2,(H,27,30)(H,29,31)