N-[5-(2-azanylethylsulfanyl)-6-chloranyl-3-methoxy-pyrazin-2-yl]-2,3-bis(chloranyl)benzenesulfonamide

Systemtic Name: N-[5-(2-azanylethylsulfanyl)-6-chloranyl-3-methoxy-pyrazin-2-yl]-2,3-bis(chloranyl)benzenesulfonamide Openeye Name: N-[5-(2-aminoethylsulfanyl)-6-chloro-3-methoxy-pyrazin-2-yl]-2,3-dichloro-benzenesulfonamide CAS Name: N-[5-(2-aminoethylthio)-6-chloro-3-methoxy-2-pyrazinyl]-2,3-dichlorobenzenesulfonamide IUPAC Name: N-[5-(2-aminoethylsulfanyl)-6-chloro-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide Traditional Name: N-[5-(2-aminoethylthio)-6-chloro-3-methoxy-pyrazin-2-yl]-2,3-dichloro-benzenesulfonamide Formula: C13H13Cl3N4O3S2 MolecularWeight: 443.75632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=C(C(=N1)SCCN)Cl)NS(=O)(=O)C2=C(C(=CC=C2)Cl)Cl

Isomeric SMILES

COC1=C(N=C(C(=N1)SCCN)Cl)NS(=O)(=O)C2=C(C(=CC=C2)Cl)Cl

InChI

InChI=1S/C13H13Cl3N4O3S2/c1-23-12-11(18-10(16)13(19-12)24-6-5-17)20-25(21,22)8-4-2-3-7(14)9(8)15/h2-4H,5-6,17H2,1H3,(H,18,20)