1-(4-methyl-3-nitro-phenyl)sulfonylpiperidin-4-one

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)sulfonylpiperidin-4-one Openeye Name: 1-(4-methyl-3-nitro-phenyl)sulfonylpiperidin-4-one CAS Name: 1-(4-methyl-3-nitrophenyl)sulfonyl-4-piperidinone IUPAC Name: 1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-4-one Traditional Name: 1-(4-methyl-3-nitro-phenyl)sulfonyl-4-piperidone Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(=O)CC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(=O)CC2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O5S/c1-9-2-3-11(8-12(9)14(16)17)20(18,19)13-6-4-10(15)5-7-13/h2-3,8H,4-7H2,1H3