N-[2-[(4-cyanophenyl)methyl]-1,3-benzothiazol-5-yl]quinoline-8-sulfonamide

Systemtic Name: N-[2-[(4-cyanophenyl)methyl]-1,3-benzothiazol-5-yl]quinoline-8-sulfonamide Openeye Name: N-[2-[(4-cyanophenyl)methyl]-1,3-benzothiazol-5-yl]quinoline-8-sulfonamide CAS Name: N-[2-[(4-cyanophenyl)methyl]-1,3-benzothiazol-5-yl]-8-quinolinesulfonamide IUPAC Name: N-[2-[(4-cyanophenyl)methyl]-1,3-benzothiazol-5-yl]quinoline-8-sulfonamide Traditional Name: N-[2-(4-cyanobenzyl)-1,3-benzothiazol-5-yl]quinoline-8-sulfonamide Formula: C24H16N4O2S2 MolecularWeight: 456.53944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC4=C(C=C3)SC(=N4)CC5=CC=C(C=C5)C#N)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC4=C(C=C3)SC(=N4)CC5=CC=C(C=C5)C#N)N=CC=C2

InChI

InChI=1S/C24H16N4O2S2/c25-15-17-8-6-16(7-9-17)13-23-27-20-14-19(10-11-21(20)31-23)28-32(29,30)22-5-1-3-18-4-2-12-26-24(18)22/h1-12,14,28H,13H2