3-methyl-1-(4-methyl-3-nitro-phenyl)sulfonyl-piperidine

Systemtic Name: 3-methyl-1-(4-methyl-3-nitro-phenyl)sulfonyl-piperidine Openeye Name: 3-methyl-1-(4-methyl-3-nitro-phenyl)sulfonyl-piperidine CAS Name: 3-methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine IUPAC Name: 3-methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine Traditional Name: 3-methyl-1-(4-methyl-3-nitro-phenyl)sulfonyl-piperidine Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O4S/c1-10-4-3-7-14(9-10)20(18,19)12-6-5-11(2)13(8-12)15(16)17/h5-6,8,10H,3-4,7,9H2,1-2H3