N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCC2=CC=CC=C2C1)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC(=O)N1CCC2=CC=CC=C2C1)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H24N2O5S/c1-22(15-21(24)23-10-9-16-5-2-3-6-17(16)14-23)29(25,26)18-7-8-19-20(13-18)28-12-4-11-27-19/h2-3,5-8,13H,4,9-12,14-15H2,1H3