N-(2-quinolin-8-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(2-quinolin-8-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(8-quinolyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(8-quinolinyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(2-quinolin-8-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(8-quinolyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC=CC4=C3N=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC=CC4=C3N=CC=C4)OC1

InChI

InChI=1S/C20H20N2O4S/c23-27(24,17-7-8-18-19(14-17)26-13-3-12-25-18)22-11-9-16-5-1-4-15-6-2-10-21-20(15)16/h1-2,4-8,10,14,22H,3,9,11-13H2