3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(4-ethylphenyl)-4-oxidanylidene-1H-quinoline-6-sulfonamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(4-ethylphenyl)-4-oxidanylidene-1H-quinoline-6-sulfonamide Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-ethylphenyl)-4-oxo-1H-quinoline-6-sulfonamide CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-N-(4-ethylphenyl)-4-oxo-1H-quinoline-6-sulfonamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-ethylphenyl)-4-oxo-1H-quinoline-6-sulfonamide Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-ethylphenyl)-4-keto-1H-quinoline-6-sulfonamide Formula: C27H25N3O4S MolecularWeight: 487.5701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H25N3O4S/c1-2-18-7-9-21(10-8-18)29-35(33,34)22-11-12-25-23(15-22)26(31)24(16-28-25)27(32)30-14-13-19-5-3-4-6-20(19)17-30/h3-12,15-16,29H,2,13-14,17H2,1H3,(H,28,31)