N-(3-chlorophenyl)-2-[(4-methylphenyl)sulfonylmethyl]-6-nitro-quinazolin-4-amine

Systemtic Name: N-(3-chlorophenyl)-2-[(4-methylphenyl)sulfonylmethyl]-6-nitro-quinazolin-4-amine Openeye Name: N-(3-chlorophenyl)-6-nitro-2-(p-tolylsulfonylmethyl)quinazolin-4-amine CAS Name: N-(3-chlorophenyl)-2-[(4-methylphenyl)sulfonylmethyl]-6-nitro-4-quinazolinamine IUPAC Name: N-(3-chlorophenyl)-2-[(4-methylphenyl)sulfonylmethyl]-6-nitroquinazolin-4-amine Traditional Name: (3-chlorophenyl)-[6-nitro-2-(tosylmethyl)quinazolin-4-yl]amine Formula: C22H17ClN4O4S MolecularWeight: 468.91278

Click to see the large picture

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(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN4O4S/c1-14-5-8-18(9-6-14)32(30,31)13-21-25-20-10-7-17(27(28)29)12-19(20)22(26-21)24-16-4-2-3-15(23)11-16/h2-12H,13H2,1H3,(H,24,25,26)