N-(4-methyl-1,3-benzothiazol-2-yl)isoquinoline-5-sulfonamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)isoquinoline-5-sulfonamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)isoquinoline-5-sulfonamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-5-isoquinolinesulfonamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)isoquinoline-5-sulfonamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)isoquinoline-5-sulfonamide Formula: C17H13N3O2S2 MolecularWeight: 355.43402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C17H13N3O2S2/c1-11-4-2-6-14-16(11)19-17(23-14)20-24(21,22)15-7-3-5-12-10-18-9-8-13(12)15/h2-10H,1H3,(H,19,20)