(2S)-1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-2-methyl-piperidine

Systemtic Name: (2S)-1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-2-methyl-piperidine Openeye Name: (2S)-1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-2-methyl-piperidine CAS Name: (2S)-1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-2-methylpiperidine IUPAC Name: (2S)-1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-2-methylpiperidine Traditional Name: (2S)-1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-2-methyl-piperidine Formula: C13H17ClN2O4S MolecularWeight: 332.80308

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C13H17ClN2O4S/c1-9-5-3-4-6-15(9)21(19,20)11-7-12(14)10(2)13(8-11)16(17)18/h7-9H,3-6H2,1-2H3/t9-/m0/s1