N-[3-(4-bromophenyl)quinoxalin-2-yl]-4-chloranyl-5-methyl-2-sulfanyl-benzenesulfonamide

Systemtic Name: N-[3-(4-bromophenyl)quinoxalin-2-yl]-4-chloranyl-5-methyl-2-sulfanyl-benzenesulfonamide Openeye Name: N-[3-(4-bromophenyl)quinoxalin-2-yl]-4-chloro-5-methyl-2-sulfanyl-benzenesulfonamide CAS Name: N-[3-(4-bromophenyl)-2-quinoxalinyl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide IUPAC Name: N-[3-(4-bromophenyl)quinoxalin-2-yl]-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide Traditional Name: N-[3-(4-bromophenyl)quinoxalin-2-yl]-4-chloro-2-mercapto-5-methyl-benzenesulfonamide Formula: C21H15BrClN3O2S2 MolecularWeight: 520.8497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H15BrClN3O2S2/c1-12-10-19(18(29)11-15(12)23)30(27,28)26-21-20(13-6-8-14(22)9-7-13)24-16-4-2-3-5-17(16)25-21/h2-11,29H,1H3,(H,25,26)