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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)-piperonylamide Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H22N2O5S/c1-16-2-7-21(8-3-16)32(28,29)26-11-10-17-4-6-20(12-19(17)14-26)25-24(27)18-5-9-22-23(13-18)31-15-30-22/h2-9,12-13H,10-11,14-15H2,1H3,(H,25,27)