N-butyl-N-[3-(2-hydroxyethylsulfanyl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-butyl-N-[3-(2-hydroxyethylsulfanyl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-butyl-N-[3-(2-hydroxyethylsulfanyl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide CAS Name: N-butyl-N-[3-(2-hydroxyethylthio)-2-quinoxalinyl]-4-methylbenzenesulfonamide IUPAC Name: N-butyl-N-[3-(2-hydroxyethylsulfanyl)quinoxalin-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-butyl-N-[3-(2-hydroxyethylthio)quinoxalin-2-yl]-4-methyl-benzenesulfonamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=NC2=CC=CC=C2N=C1SCCO)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCN(C1=NC2=CC=CC=C2N=C1SCCO)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25N3O3S2/c1-3-4-13-24(29(26,27)17-11-9-16(2)10-12-17)20-21(28-15-14-25)23-19-8-6-5-7-18(19)22-20/h5-12,25H,3-4,13-15H2,1-2H3