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

Systemtic Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)-piperonylamide Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S/c1-26(22,23)20-7-6-12-2-4-15(8-14(12)10-20)19-18(21)13-3-5-16-17(9-13)25-11-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,19,21)