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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(2-ethoxyphenyl)-N-methyl-4-oxidanylidene-1H-quinoline-6-sulfonamide Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-ethoxyphenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-N-(2-ethoxyphenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-ethoxyphenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-keto-N-methyl-N-o-phenetyl-1H-quinoline-6-sulfonamide Formula: C28H27N3O5S MolecularWeight: 517.59608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOC1=CC=CC=C1N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H27N3O5S/c1-3-36-26-11-7-6-10-25(26)30(2)37(34,35)21-12-13-24-22(16-21)27(32)23(17-29-24)28(33)31-15-14-19-8-4-5-9-20(19)18-31/h4-13,16-17H,3,14-15,18H2,1-2H3,(H,29,32)