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

Systemtic Name: 3-chloranyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Openeye Name: 3-chloro-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide CAS Name: 3-chloro-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 3-chloro-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Traditional Name: 3-chloro-N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Formula: C19H21ClN2O3S MolecularWeight: 392.89964

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O3S/c1-13(2)19(23)22-9-8-14-6-7-17(10-15(14)12-22)21-26(24,25)18-5-3-4-16(20)11-18/h3-7,10-11,13,21H,8-9,12H2,1-2H3