methyl 1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]piperidine-4-carboxylate CAS Name: 1-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]isonipecotic acid methyl ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O6S/c1-14-4-3-9-21(13-14)29(26,27)16-5-6-17(18(12-16)22(24)25)20-10-7-15(8-11-20)19(23)28-2/h5-6,12,14-15H,3-4,7-11,13H2,1-2H3/t14-/m0/s1