(2-nitrophenyl) (3S)-3-methylpiperidine-1-sulfonate

Systemtic Name: (2-nitrophenyl) (3S)-3-methylpiperidine-1-sulfonate Openeye Name: (2-nitrophenyl) (3S)-3-methylpiperidine-1-sulfonate CAS Name: (3S)-3-methyl-1-piperidinesulfonic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) (3S)-3-methylpiperidine-1-sulfonate Traditional Name: (3S)-3-methylpiperidine-1-sulfonic acid (2-nitrophenyl) ester Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)OC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)OC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O5S/c1-10-5-4-8-13(9-10)20(17,18)19-12-7-3-2-6-11(12)14(15)16/h2-3,6-7,10H,4-5,8-9H2,1H3/t10-/m0/s1