(3S,5S)-3,5-dimethyl-1-(4-methyl-3-nitro-phenyl)sulfonyl-piperidine

Systemtic Name: (3S,5S)-3,5-dimethyl-1-(4-methyl-3-nitro-phenyl)sulfonyl-piperidine Openeye Name: (3S,5S)-3,5-dimethyl-1-(4-methyl-3-nitro-phenyl)sulfonyl-piperidine CAS Name: (3S,5S)-3,5-dimethyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine IUPAC Name: (3S,5S)-3,5-dimethyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine Traditional Name: (3S,5S)-3,5-dimethyl-1-(4-methyl-3-nitro-phenyl)sulfonyl-piperidine Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-10-6-11(2)9-15(8-10)21(19,20)13-5-4-12(3)14(7-13)16(17)18/h4-5,7,10-11H,6,8-9H2,1-3H3/t10-,11-/m0/s1