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

Systemtic Name: 3-methyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxy-benzenesulfonamide Openeye Name: 3-methyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxy-benzenesulfonamide CAS Name: 3-methyl-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propoxybenzenesulfonamide IUPAC Name: 3-methyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzenesulfonamide Traditional Name: 3-methyl-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxy-benzenesulfonamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)CC)C=C2)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)CC)C=C2)C

InChI

InChI=1S/C22H28N2O4S/c1-4-12-28-21-9-8-20(13-16(21)3)29(26,27)23-19-7-6-17-10-11-24(22(25)5-2)15-18(17)14-19/h6-9,13-14,23H,4-5,10-12,15H2,1-3H3