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

Systemtic Name: 4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-2-one Openeye Name: 4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-2-one CAS Name: 4-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2-piperazinone IUPAC Name: 4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazin-2-one Traditional Name: 4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-2-one Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCNC(=O)C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCNC(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5S/c1-8-5-10(15(17)18)6-11(9(8)2)21(19,20)14-4-3-13-12(16)7-14/h5-6H,3-4,7H2,1-2H3,(H,13,16)