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

Systemtic Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide Openeye Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide CAS Name: N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-8-quinolinesulfonamide IUPAC Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide Traditional Name: N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)quinoline-8-sulfonamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-15(2)22(26)25-12-10-16-8-9-19(13-18(16)14-25)24-29(27,28)20-7-3-5-17-6-4-11-23-21(17)20/h3-9,11,13,15,24H,10,12,14H2,1-2H3