1-(4-methylsulfonyl-2-nitro-phenyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine

Systemtic Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazine CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)-4-[[(2R)-2-oxanyl]methyl]piperazine IUPAC Name: 1-(4-methylsulfonyl-2-nitrophenyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazine Formula: C17H25N3O5S MolecularWeight: 383.4625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3CCCCO3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C[C@H]3CCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O5S/c1-26(23,24)15-5-6-16(17(12-15)20(21)22)19-9-7-18(8-10-19)13-14-4-2-3-11-25-14/h5-6,12,14H,2-4,7-11,13H2,1H3/t14-/m1/s1