(2S,5R)-2,5-dimethyl-1-(2-nitrophenyl)sulfonyl-piperazine

Systemtic Name: (2S,5R)-2,5-dimethyl-1-(2-nitrophenyl)sulfonyl-piperazine Openeye Name: (2S,5R)-2,5-dimethyl-1-(2-nitrophenyl)sulfonyl-piperazine CAS Name: (2S,5R)-2,5-dimethyl-1-(2-nitrophenyl)sulfonylpiperazine IUPAC Name: (2S,5R)-2,5-dimethyl-1-(2-nitrophenyl)sulfonylpiperazine Traditional Name: (2S,5R)-2,5-dimethyl-1-(2-nitrophenyl)sulfonyl-piperazine Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(CN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1CN[C@@H](CN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C12H17N3O4S/c1-9-8-14(10(2)7-13-9)20(18,19)12-6-4-3-5-11(12)15(16)17/h3-6,9-10,13H,7-8H2,1-2H3/t9-,10+/m1/s1