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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H21N3O5S2 MolecularWeight: 507.58134

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)NC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)NC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C25H21N3O5S2/c29-24(27-25-26-19-7-3-4-8-23(19)34-25)20-13-16-5-1-2-6-17(16)15-28(20)35(30,31)18-9-10-21-22(14-18)33-12-11-32-21/h1-10,14,20H,11-13,15H2,(H,26,27,29)