2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]quinazolin-4-amine

Systemtic Name: 2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]quinazolin-4-amine Openeye Name: 2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]quinazolin-4-amine CAS Name: 2-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinazolin-4-amine Traditional Name: [2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]quinazolin-4-yl]amine Formula: C20H22N6O4S MolecularWeight: 442.49148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C20H22N6O4S/c1-14-6-7-15(26(27)28)12-18(14)31(29,30)25-10-8-24(9-11-25)13-19-22-17-5-3-2-4-16(17)20(21)23-19/h2-7,12H,8-11,13H2,1H3,(H2,21,22,23)