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

Systemtic Name: N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-piperonylamide Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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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=CS5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C21H18N2O5S2/c24-21(15-4-6-18-19(11-15)28-13-27-18)22-17-5-3-14-7-8-23(12-16(14)10-17)30(25,26)20-2-1-9-29-20/h1-6,9-11H,7-8,12-13H2,(H,22,24)