N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylmethyl]-6-nitro-quinazolin-4-amine

Systemtic Name: N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylmethyl]-6-nitro-quinazolin-4-amine Openeye Name: N-(4-fluorophenyl)-6-nitro-2-(p-tolylsulfonylmethyl)quinazolin-4-amine CAS Name: N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylmethyl]-6-nitro-4-quinazolinamine IUPAC Name: N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylmethyl]-6-nitroquinazolin-4-amine Traditional Name: (4-fluorophenyl)-[6-nitro-2-(tosylmethyl)quinazolin-4-yl]amine Formula: C22H17FN4O4S MolecularWeight: 452.458183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN4O4S/c1-14-2-9-18(10-3-14)32(30,31)13-21-25-20-11-8-17(27(28)29)12-19(20)22(26-21)24-16-6-4-15(23)5-7-16/h2-12H,13H2,1H3,(H,24,25,26)