N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]isoquinoline-5-sulfonamide

Systemtic Name: N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]isoquinoline-5-sulfonamide CAS Name: N-[1-[3-(4-cyanophenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]isoquinoline-5-sulfonamide Traditional Name: N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]isoquinoline-5-sulfonamide Formula: C28H24N4O3S MolecularWeight: 496.58016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)N(C1)C(=O)CCC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)N(C1)C(=O)CCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H24N4O3S/c29-18-21-8-6-20(7-9-21)10-13-28(33)32-16-2-4-22-17-24(11-12-26(22)32)31-36(34,35)27-5-1-3-23-19-30-15-14-25(23)27/h1,3,5-9,11-12,14-15,17,19,31H,2,4,10,13,16H2