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

Systemtic Name: (2S)-2-ethyl-1-(4-methyl-3-nitro-phenyl)sulfonyl-piperidine Openeye Name: (2S)-2-ethyl-1-(4-methyl-3-nitro-phenyl)sulfonyl-piperidine CAS Name: (2S)-2-ethyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine IUPAC Name: (2S)-2-ethyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine Traditional Name: (2S)-2-ethyl-1-(4-methyl-3-nitro-phenyl)sulfonyl-piperidine Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-3-12-6-4-5-9-15(12)21(19,20)13-8-7-11(2)14(10-13)16(17)18/h7-8,10,12H,3-6,9H2,1-2H3/t12-/m0/s1