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

Systemtic Name: (4-nitrophenyl) (3S)-3-methylpiperidine-1-sulfonate Openeye Name: (4-nitrophenyl) (3S)-3-methylpiperidine-1-sulfonate CAS Name: (3S)-3-methyl-1-piperidinesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (3S)-3-methylpiperidine-1-sulfonate Traditional Name: (3S)-3-methylpiperidine-1-sulfonic acid (4-nitrophenyl) ester Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O5S/c1-10-3-2-8-13(9-10)20(17,18)19-12-6-4-11(5-7-12)14(15)16/h4-7,10H,2-3,8-9H2,1H3/t10-/m0/s1