2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H23N3O6S MolecularWeight: 493.53162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)N4CC5=CC=CC=C5CC4C(=O)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)N4CC5=CC=CC=C5CC4C(=O)N

InChI

InChI=1S/C25H23N3O6S/c26-24(29)21-13-17-3-1-2-4-18(17)15-28(21)25(30)16-5-7-19(8-6-16)27-35(31,32)20-9-10-22-23(14-20)34-12-11-33-22/h1-10,14,21,27H,11-13,15H2,(H2,26,29)