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

Systemtic Name: 3-chloranyl-4-methoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Openeye Name: 3-chloro-4-methoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide CAS Name: 3-chloro-4-methoxy-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 3-chloro-4-methoxy-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)-4-methoxy-benzenesulfonamide Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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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(=C(C=C3)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4S/c1-13(2)20(24)23-9-8-14-4-5-16(10-15(14)12-23)22-28(25,26)17-6-7-19(27-3)18(21)11-17/h4-7,10-11,13,22H,8-9,12H2,1-3H3