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

Systemtic Name: (3R,5R)-1-(4-chloranyl-3-nitro-phenyl)sulfonyl-3,5-dimethyl-piperidine Openeye Name: (3R,5R)-1-(4-chloro-3-nitro-phenyl)sulfonyl-3,5-dimethyl-piperidine CAS Name: (3R,5R)-1-(4-chloro-3-nitrophenyl)sulfonyl-3,5-dimethylpiperidine IUPAC Name: (3R,5R)-1-(4-chloro-3-nitrophenyl)sulfonyl-3,5-dimethylpiperidine Traditional Name: (3R,5R)-1-(4-chloro-3-nitro-phenyl)sulfonyl-3,5-dimethyl-piperidine Formula: C13H17ClN2O4S MolecularWeight: 332.80308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O4S/c1-9-5-10(2)8-15(7-9)21(19,20)11-3-4-12(14)13(6-11)16(17)18/h3-4,6,9-10H,5,7-8H2,1-2H3/t9-,10-/m1/s1