N-(3-chloranyl-4-fluoranyl-phenyl)-7-(4-methylphenyl)sulfonyl-6-nitro-quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-7-(4-methylphenyl)sulfonyl-6-nitro-quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-nitro-7-(p-tolylsulfonyl)quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-7-(4-methylphenyl)sulfonyl-6-nitro-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-(4-methylphenyl)sulfonyl-6-nitroquinazolin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-(6-nitro-7-tosyl-quinazolin-4-yl)amine Formula: C21H14ClFN4O4S MolecularWeight: 472.876663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClFN4O4S/c1-12-2-5-14(6-3-12)32(30,31)20-10-18-15(9-19(20)27(28)29)21(25-11-24-18)26-13-4-7-17(23)16(22)8-13/h2-11H,1H3,(H,24,25,26)