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

Systemtic Name: N-[2-[2-(4-cyanophenyl)ethanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide Openeye Name: N-[2-[2-(4-cyanophenyl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide CAS Name: N-[2-[2-(4-cyanophenyl)-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-8-quinolinesulfonamide IUPAC Name: N-[2-[2-(4-cyanophenyl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide Traditional Name: N-[2-[2-(4-cyanophenyl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H22N4O3S/c28-17-20-8-6-19(7-9-20)15-26(32)31-14-12-21-10-11-24(16-23(21)18-31)30-35(33,34)25-5-1-3-22-4-2-13-29-27(22)25/h1-11,13,16,30H,12,14-15,18H2