(4-nitrophenyl) (2S)-2-methylpiperidine-1-sulfonate

Systemtic Name: (4-nitrophenyl) (2S)-2-methylpiperidine-1-sulfonate Openeye Name: (4-nitrophenyl) (2S)-2-methylpiperidine-1-sulfonate CAS Name: (2S)-2-methyl-1-piperidinesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (2S)-2-methylpiperidine-1-sulfonate Traditional Name: (2S)-2-methylpiperidine-1-sulfonic acid (4-nitrophenyl) ester Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O5S/c1-10-4-2-3-9-13(10)20(17,18)19-12-7-5-11(6-8-12)14(15)16/h5-8,10H,2-4,9H2,1H3/t10-/m0/s1