N-(1,3-benzodioxol-5-yl)-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(benzenesulfonyl)-N-(1,3-benzodioxol-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(benzenesulfonyl)-N-(1,3-benzodioxol-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(benzenesulfonyl)-N-(1,3-benzodioxol-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-besyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

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