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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(4-ethylphenyl)-N-methyl-4-oxidanylidene-1H-quinoline-6-sulfonamide Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-ethylphenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-N-(4-ethylphenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-ethylphenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-ethylphenyl)-4-keto-N-methyl-1H-quinoline-6-sulfonamide Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O4S/c1-3-19-8-10-22(11-9-19)30(2)36(34,35)23-12-13-26-24(16-23)27(32)25(17-29-26)28(33)31-15-14-20-6-4-5-7-21(20)18-31/h4-13,16-17H,3,14-15,18H2,1-2H3,(H,29,32)