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

Systemtic Name: N-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propoxy-benzenesulfonamide Openeye Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxy-benzenesulfonamide CAS Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzenesulfonamide IUPAC Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzenesulfonamide Traditional Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxy-benzenesulfonamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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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)C4=CC=CC=C4)C=C2

Isomeric SMILES

CCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C25H26N2O4S/c1-2-16-31-23-10-12-24(13-11-23)32(29,30)26-22-9-8-19-14-15-27(18-21(19)17-22)25(28)20-6-4-3-5-7-20/h3-13,17,26H,2,14-16,18H2,1H3