N-(4-methylsulfanylphenyl)isoquinoline-5-sulfonamide

Systemtic Name: N-(4-methylsulfanylphenyl)isoquinoline-5-sulfonamide Openeye Name: N-(4-methylsulfanylphenyl)isoquinoline-5-sulfonamide CAS Name: N-[4-(methylthio)phenyl]-5-isoquinolinesulfonamide IUPAC Name: N-(4-methylsulfanylphenyl)isoquinoline-5-sulfonamide Traditional Name: N-[4-(methylthio)phenyl]isoquinoline-5-sulfonamide Formula: C16H14N2O2S2 MolecularWeight: 330.42456

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CSC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C16H14N2O2S2/c1-21-14-7-5-13(6-8-14)18-22(19,20)16-4-2-3-12-11-17-10-9-15(12)16/h2-11,18H,1H3