7-(4-methylphenyl)sulfonyl-6-nitro-N-(phenylmethyl)quinazolin-4-amine

Systemtic Name: 7-(4-methylphenyl)sulfonyl-6-nitro-N-(phenylmethyl)quinazolin-4-amine Openeye Name: N-benzyl-6-nitro-7-(p-tolylsulfonyl)quinazolin-4-amine CAS Name: 7-(4-methylphenyl)sulfonyl-6-nitro-N-(phenylmethyl)-4-quinazolinamine IUPAC Name: N-benzyl-7-(4-methylphenyl)sulfonyl-6-nitroquinazolin-4-amine Traditional Name: benzyl-(6-nitro-7-tosyl-quinazolin-4-yl)amine Formula: C22H18N4O4S MolecularWeight: 434.46772

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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=C3NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4S/c1-15-7-9-17(10-8-15)31(29,30)21-12-19-18(11-20(21)26(27)28)22(25-14-24-19)23-13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,23,24,25)