(2-methylphenyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-methylphenyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-(o-tolyl)methanone CAS Name: (2-methylphenyl)-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-methylphenyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-nosylpiperazino)-(o-tolyl)methanone Formula: C18H19N3O5S MolecularWeight: 389.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-14-4-2-3-5-17(14)18(22)19-10-12-20(13-11-19)27(25,26)16-8-6-15(7-9-16)21(23)24/h2-9H,10-13H2,1H3