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

Systemtic Name: N-(4-cyanophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(4-cyanophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(4-cyanophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(4-cyanophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-cyanophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H21N3O5S MolecularWeight: 475.51634

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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=CC=C(C=C5)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H21N3O5S/c26-15-17-5-7-20(8-6-17)27-25(29)22-13-18-3-1-2-4-19(18)16-28(22)34(30,31)21-9-10-23-24(14-21)33-12-11-32-23/h1-10,14,22H,11-13,16H2,(H,27,29)