N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-hexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-hexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-hexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-hexyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCCCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCCCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H28N2O5S/c26-23(25-13-11-18-6-3-4-7-19(18)17-25)8-2-1-5-12-24-31(27,28)20-9-10-21-22(16-20)30-15-14-29-21/h3-4,6-7,9-10,16,24H,1-2,5,8,11-15,17H2