1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidin-4-one

Systemtic Name: 1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidin-4-one Openeye Name: 1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidin-4-one CAS Name: 1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-4-piperidinone IUPAC Name: 1-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperidin-4-one Traditional Name: 1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-piperidone Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(=O)CC2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(=O)CC2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5S/c1-9-7-11(15(17)18)8-13(10(9)2)21(19,20)14-5-3-12(16)4-6-14/h7-8H,3-6H2,1-2H3