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

Systemtic Name: (3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3CC4=CC=CC=C4C[C@H]3C(=O)N

InChI

InChI=1S/C18H18N2O5S/c19-18(21)15-9-12-3-1-2-4-13(12)11-20(15)26(22,23)14-5-6-16-17(10-14)25-8-7-24-16/h1-6,10,15H,7-9,11H2,(H2,19,21)/t15-/m0/s1