N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]isoquinoline-5-sulfonamide Openeye Name: N-[4-(thiazol-2-ylsulfamoyl)phenyl]isoquinoline-5-sulfonamide CAS Name: N-[4-(2-thiazolylsulfamoyl)phenyl]-5-isoquinolinesulfonamide IUPAC Name: N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]isoquinoline-5-sulfonamide Traditional Name: N-[4-(thiazol-2-ylsulfamoyl)phenyl]isoquinoline-5-sulfonamide Formula: C18H14N4O4S3 MolecularWeight: 446.52316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4

InChI

InChI=1S/C18H14N4O4S3/c23-28(24,22-18-20-10-11-27-18)15-6-4-14(5-7-15)21-29(25,26)17-3-1-2-13-12-19-9-8-16(13)17/h1-12,21H,(H,20,22)