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

Systemtic Name: 4-chloranyl-5-methyl-N-[3-(3-nitrophenyl)quinoxalin-2-yl]-2-sulfanyl-benzenesulfonamide Openeye Name: 4-chloro-5-methyl-N-[3-(3-nitrophenyl)quinoxalin-2-yl]-2-sulfanyl-benzenesulfonamide CAS Name: 4-chloro-2-mercapto-5-methyl-N-[3-(3-nitrophenyl)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-chloro-5-methyl-N-[3-(3-nitrophenyl)quinoxalin-2-yl]-2-sulfanylbenzenesulfonamide Traditional Name: 4-chloro-2-mercapto-5-methyl-N-[3-(3-nitrophenyl)quinoxalin-2-yl]benzenesulfonamide Formula: C21H15ClN4O4S2 MolecularWeight: 486.9512

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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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN4O4S2/c1-12-9-19(18(31)11-15(12)22)32(29,30)25-21-20(13-5-4-6-14(10-13)26(27)28)23-16-7-2-3-8-17(16)24-21/h2-11,31H,1H3,(H,24,25)