1-(3,4-dimethyl-5-nitro-phenyl)sulfonylpiperazine

Systemtic Name: 1-(3,4-dimethyl-5-nitro-phenyl)sulfonylpiperazine Openeye Name: 1-(3,4-dimethyl-5-nitro-phenyl)sulfonylpiperazine CAS Name: 1-(3,4-dimethyl-5-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(3,4-dimethyl-5-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(3,4-dimethyl-5-nitro-phenyl)sulfonylpiperazine Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)N2CCNCC2

Isomeric SMILES

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)N2CCNCC2

InChI

InChI=1S/C12H17N3O4S/c1-9-7-11(8-12(10(9)2)15(16)17)20(18,19)14-5-3-13-4-6-14/h7-8,13H,3-6H2,1-2H3