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

Systemtic Name: (3R,5R)-1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-3,5-dimethyl-piperidine Openeye Name: (3R,5R)-1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-3,5-dimethyl-piperidine CAS Name: (3R,5R)-1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-3,5-dimethylpiperidine IUPAC Name: (3R,5R)-1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-3,5-dimethylpiperidine Traditional Name: (3R,5R)-1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-3,5-dimethyl-piperidine Formula: C14H19ClN2O4S MolecularWeight: 346.82966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O4S/c1-9-4-10(2)8-16(7-9)22(20,21)12-5-13(15)11(3)14(6-12)17(18)19/h5-6,9-10H,4,7-8H2,1-3H3/t9-,10-/m1/s1