N-ethyl-4-nitro-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzenesulfonamide

Systemtic Name: N-ethyl-4-nitro-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzenesulfonamide Openeye Name: N-ethyl-4-nitro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzenesulfonamide CAS Name: N-ethyl-4-nitro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzenesulfonamide IUPAC Name: N-ethyl-4-nitro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzenesulfonamide Traditional Name: N-ethyl-N-[(4-keto-1H-quinazolin-2-yl)methyl]-4-nitro-benzenesulfonamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S/c1-2-20(27(25,26)13-9-7-12(8-10-13)21(23)24)11-16-18-15-6-4-3-5-14(15)17(22)19-16/h3-10H,2,11H2,1H3,(H,18,19,22)