1-(4-methoxyphenyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine

Systemtic Name: 1-(4-methoxyphenyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine Openeye Name: 1-(4-methoxyphenyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine CAS Name: 1-(4-methoxyphenyl)-4-(4-methylsulfonyl-2-nitrophenyl)piperazine IUPAC Name: 1-(4-methoxyphenyl)-4-(4-methylsulfonyl-2-nitrophenyl)piperazine Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-4-(4-methoxyphenyl)piperazine Formula: C18H21N3O5S MolecularWeight: 391.44144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-26-15-5-3-14(4-6-15)19-9-11-20(12-10-19)17-8-7-16(27(2,24)25)13-18(17)21(22)23/h3-8,13H,9-12H2,1-2H3