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

Systemtic Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propan-2-yl-benzenesulfonamide Openeye Name: 4-isopropyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide CAS Name: N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propan-2-ylbenzenesulfonamide IUPAC Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propan-2-ylbenzenesulfonamide Traditional Name: 4-isopropyl-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=CC=C(C=C3)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-4-21(24)23-12-11-17-5-8-19(13-18(17)14-23)22-27(25,26)20-9-6-16(7-10-20)15(2)3/h5-10,13,15,22H,4,11-12,14H2,1-3H3