(3S)-1-(2-methylsulfonyl-4-nitro-phenyl)piperidine-3-carboxylate

Systemtic Name: (3S)-1-(2-methylsulfonyl-4-nitro-phenyl)piperidine-3-carboxylate Openeye Name: (3S)-1-(2-methylsulfonyl-4-nitro-phenyl)piperidine-3-carboxylate CAS Name: (3S)-1-(2-methylsulfonyl-4-nitrophenyl)-3-piperidinecarboxylate IUPAC Name: (3S)-1-(2-methylsulfonyl-4-nitrophenyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2-mesyl-4-nitro-phenyl)nipecotate Formula: C13H15N2O6S- MolecularWeight: 327.333

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C13H16N2O6S/c1-22(20,21)12-7-10(15(18)19)4-5-11(12)14-6-2-3-9(8-14)13(16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,17)/p-1/t9-/m0/s1