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

Systemtic Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-piperonylamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O5S/c1-2-9-28(24,25)22-8-7-14-3-5-17(10-16(14)12-22)21-20(23)15-4-6-18-19(11-15)27-13-26-18/h3-6,10-11H,2,7-9,12-13H2,1H3,(H,21,23)