3-(7-chloranyl-6-nitro-4-oxidanylidene-1H-quinazolin-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-propoxy-benzenesulfonamide

Systemtic Name: 3-(7-chloranyl-6-nitro-4-oxidanylidene-1H-quinazolin-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-propoxy-benzenesulfonamide Openeye Name: 3-(7-chloro-6-nitro-4-oxo-1H-quinazolin-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-propoxy-benzenesulfonamide CAS Name: 3-(7-chloro-6-nitro-4-oxo-1H-quinazolin-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-propoxybenzenesulfonamide IUPAC Name: 3-(7-chloro-6-nitro-4-oxo-1H-quinazolin-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-propoxybenzenesulfonamide Traditional Name: 3-(7-chloro-4-keto-6-nitro-1H-quinazolin-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-propoxy-benzenesulfonamide Formula: C22H21ClN6O6S MolecularWeight: 532.95674

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CN=CN2)C3=NC(=O)C4=CC(=C(C=C4N3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CN=CN2)C3=NC(=O)C4=CC(=C(C=C4N3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN6O6S/c1-2-7-35-20-4-3-14(36(33,34)26-6-5-13-11-24-12-25-13)8-16(20)21-27-18-10-17(23)19(29(31)32)9-15(18)22(30)28-21/h3-4,8-12,26H,2,5-7H2,1H3,(H,24,25)(H,27,28,30)