3-methyl-1-(2-methylsulfonyl-4-nitro-phenyl)piperazine

Systemtic Name: 3-methyl-1-(2-methylsulfonyl-4-nitro-phenyl)piperazine Openeye Name: 3-methyl-1-(2-methylsulfonyl-4-nitro-phenyl)piperazine CAS Name: 3-methyl-1-(2-methylsulfonyl-4-nitrophenyl)piperazine IUPAC Name: 3-methyl-1-(2-methylsulfonyl-4-nitrophenyl)piperazine Traditional Name: 1-(2-mesyl-4-nitro-phenyl)-3-methyl-piperazine Formula: C12H17N3O4S MolecularWeight: 299.34608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C12H17N3O4S/c1-9-8-14(6-5-13-9)11-4-3-10(15(16)17)7-12(11)20(2,18)19/h3-4,7,9,13H,5-6,8H2,1-2H3