[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3,5-dinitrophenyl)methanone

Systemtic Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3,5-dinitrophenyl)methanone Openeye Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3,5-dinitrophenyl)methanone CAS Name: [4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-(3,5-dinitrophenyl)methanone IUPAC Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3,5-dinitrophenyl)methanone Traditional Name: [4-(2,4-dimethylphenyl)sulfonylpiperazino]-(3,5-dinitrophenyl)methanone Formula: C19H20N4O7S MolecularWeight: 448.4497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C19H20N4O7S/c1-13-3-4-18(14(2)9-13)31(29,30)21-7-5-20(6-8-21)19(24)15-10-16(22(25)26)12-17(11-15)23(27)28/h3-4,9-12H,5-8H2,1-2H3