N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-piperonylamide Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H20N2O5S/c26-23(17-7-9-21-22(13-17)30-15-29-21)24-19-8-6-16-10-11-25(14-18(16)12-19)31(27,28)20-4-2-1-3-5-20/h1-9,12-13H,10-11,14-15H2,(H,24,26)