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

Systemtic Name: 2-[(3-bromophenyl)methylsulfonylmethyl]-N-(2-dimethylaminoethyl)-3-oxidanylidene-2,4-dihydro-1H-quinoxaline-6-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfonylmethyl]-N-(2-dimethylaminoethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide CAS Name: 2-[(3-bromophenyl)methylsulfonylmethyl]-N-(2-dimethylaminoethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfonylmethyl]-N-(2-dimethylaminoethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide Traditional Name: 2-[(3-bromobenzyl)sulfonylmethyl]-N-(2-dimethylaminoethyl)-3-keto-2,4-dihydro-1H-quinoxaline-6-carboxamide Formula: C21H25BrN4O4S MolecularWeight: 509.4166

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CC2=C(C=C1)NC(C(=O)N2)CS(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

CN(C)CCNC(=O)C1=CC2=C(C=C1)NC(C(=O)N2)CS(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H25BrN4O4S/c1-26(2)9-8-23-20(27)15-6-7-17-18(11-15)25-21(28)19(24-17)13-31(29,30)12-14-4-3-5-16(22)10-14/h3-7,10-11,19,24H,8-9,12-13H2,1-2H3,(H,23,27)(H,25,28)