N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]isoquinoline-5-sulfonamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]isoquinoline-5-sulfonamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-isoquinolinesulfonamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]isoquinoline-5-sulfonamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]isoquinoline-5-sulfonamide Formula: C23H17N3O2S2 MolecularWeight: 431.52998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C23H17N3O2S2/c1-15-5-10-20-21(13-15)29-23(25-20)16-6-8-18(9-7-16)26-30(27,28)22-4-2-3-17-14-24-12-11-19(17)22/h2-14,26H,1H3