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

Systemtic Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxy-benzenesulfonamide Openeye Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxy-benzenesulfonamide CAS Name: N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propoxybenzenesulfonamide IUPAC Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzenesulfonamide Traditional Name: N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxy-benzenesulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-3-13-27-19-7-9-20(10-8-19)28(25,26)22-18-6-5-16-11-12-23(21(24)4-2)15-17(16)14-18/h5-10,14,22H,3-4,11-13,15H2,1-2H3