N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide Openeye Name: N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-8-quinolinesulfonamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide Traditional Name: N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)quinoline-8-sulfonamide Formula: C25H23N3O4S2 MolecularWeight: 493.59782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H23N3O4S2/c1-18-7-11-23(12-8-18)34(31,32)28-15-13-19-9-10-22(16-21(19)17-28)27-33(29,30)24-6-2-4-20-5-3-14-26-25(20)24/h2-12,14,16,27H,13,15,17H2,1H3