N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H20N2O5S2/c25-22(23-17-7-8-19-20(13-17)29-10-9-28-19)18-12-15-4-1-2-5-16(15)14-24(18)31(26,27)21-6-3-11-30-21/h1-8,11,13,18H,9-10,12,14H2,(H,23,25)