2,4,5-trimethyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide

Systemtic Name: 2,4,5-trimethyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Openeye Name: 2,4,5-trimethyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide CAS Name: 2,4,5-trimethyl-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 2,4,5-trimethyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Traditional Name: 2,4,5-trimethyl-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-5-21(24)23-9-8-17-6-7-19(12-18(17)13-23)22-27(25,26)20-11-15(3)14(2)10-16(20)4/h6-7,10-12,22H,5,8-9,13H2,1-4H3