(3S,5S)-3,5-dimethyl-1-(2-nitrophenyl)sulfonyl-piperidine

Systemtic Name: (3S,5S)-3,5-dimethyl-1-(2-nitrophenyl)sulfonyl-piperidine Openeye Name: (3S,5S)-3,5-dimethyl-1-(2-nitrophenyl)sulfonyl-piperidine CAS Name: (3S,5S)-3,5-dimethyl-1-(2-nitrophenyl)sulfonylpiperidine IUPAC Name: (3S,5S)-3,5-dimethyl-1-(2-nitrophenyl)sulfonylpiperidine Traditional Name: (3S,5S)-3,5-dimethyl-1-(2-nitrophenyl)sulfonyl-piperidine Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4S/c1-10-7-11(2)9-14(8-10)20(18,19)13-6-4-3-5-12(13)15(16)17/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m0/s1