7-(4-methylphenyl)sulfonyl-6-nitro-N-(1-phenylethyl)quinazolin-4-amine

Systemtic Name: 7-(4-methylphenyl)sulfonyl-6-nitro-N-(1-phenylethyl)quinazolin-4-amine Openeye Name: 6-nitro-N-(1-phenylethyl)-7-(p-tolylsulfonyl)quinazolin-4-amine CAS Name: 7-(4-methylphenyl)sulfonyl-6-nitro-N-(1-phenylethyl)-4-quinazolinamine IUPAC Name: 7-(4-methylphenyl)sulfonyl-6-nitro-N-(1-phenylethyl)quinazolin-4-amine Traditional Name: (6-nitro-7-tosyl-quinazolin-4-yl)-(1-phenylethyl)amine Formula: C23H20N4O4S MolecularWeight: 448.4943

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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=C3NC(C)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C3C(=C2)N=CN=C3NC(C)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O4S/c1-15-8-10-18(11-9-15)32(30,31)22-13-20-19(12-21(22)27(28)29)23(25-14-24-20)26-16(2)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,24,25,26)