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

Systemtic Name: (3,5-dinitrophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3,5-dinitrophenyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (3,5-dinitrophenyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3,5-dinitrophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3,5-dinitrophenyl)-(4-tosylpiperazino)methanone Formula: C18H18N4O7S MolecularWeight: 434.42312

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-]

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O7S/c1-13-2-4-17(5-3-13)30(28,29)20-8-6-19(7-9-20)18(23)14-10-15(21(24)25)12-16(11-14)22(26)27/h2-5,10-12H,6-9H2,1H3