3,3-dimethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine

Systemtic Name: 3,3-dimethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine Openeye Name: 3,3-dimethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine CAS Name: 3,3-dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine IUPAC Name: 3,3-dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine Traditional Name: 3,3-dimethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)(C)C

InChI

InChI=1S/C14H20N2O4S/c1-11-5-6-12(16(17)18)9-13(11)21(19,20)15-8-4-7-14(2,3)10-15/h5-6,9H,4,7-8,10H2,1-3H3