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

Systemtic Name: (3-methylphenyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: m-tolyl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3-methylphenyl)-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-methylphenyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: m-tolyl-(4-nosylpiperazino)methanone Formula: C18H19N3O5S MolecularWeight: 389.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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