N-[2-(4-sulfamoylphenyl)ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-(4-sulfamoylphenyl)ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-(4-sulfamoylphenyl)ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-(4-sulfamoylphenyl)ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-(4-sulfamoylphenyl)ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-(4-sulfamoylphenyl)ethyl]isoquinoline-5-sulfonamide Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H17N3O4S2/c18-25(21,22)15-6-4-13(5-7-15)8-11-20-26(23,24)17-3-1-2-14-12-19-10-9-16(14)17/h1-7,9-10,12,20H,8,11H2,(H2,18,21,22)