N-[2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[(2,6-dichlorophenyl)methylthio]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[(2,6-dichlorobenzyl)thio]ethyl]isoquinoline-5-sulfonamide Formula: C18H16Cl2N2O2S2 MolecularWeight: 427.36784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCSCC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCSCC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C18H16Cl2N2O2S2/c19-16-4-2-5-17(20)15(16)12-25-10-9-22-26(23,24)18-6-1-3-13-11-21-8-7-14(13)18/h1-8,11,22H,9-10,12H2