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

Systemtic Name: N-ethyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-ethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-ethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-ethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-ethyl-N-[(4-keto-1H-quinazolin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21N3O5S/c1-2-23(13-19-21-16-7-4-3-6-15(16)20(24)22-19)29(25,26)14-8-9-17-18(12-14)28-11-5-10-27-17/h3-4,6-9,12H,2,5,10-11,13H2,1H3,(H,21,22,24)