3-ethanoyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide

Systemtic Name: 3-ethanoyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Openeye Name: 3-acetyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide CAS Name: 3-acetyl-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 3-acetyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Traditional Name: 3-acetyl-N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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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=CC(=C3)C(=O)C

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C21H24N2O4S/c1-14(2)21(25)23-10-9-16-7-8-19(11-18(16)13-23)22-28(26,27)20-6-4-5-17(12-20)15(3)24/h4-8,11-12,14,22H,9-10,13H2,1-3H3