N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

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