1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-one

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-one Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-one CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinone IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-one Traditional Name: 1-(2-methyl-5-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)[N+](=O)[O-])S(=O)(=O)N2CCC(=O)CC2

Isomeric SMILES

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

InChI

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