(2S)-4-(2-chloranyl-4-nitro-phenyl)-2-methyl-1-methylsulfonyl-piperazine

Systemtic Name: (2S)-4-(2-chloranyl-4-nitro-phenyl)-2-methyl-1-methylsulfonyl-piperazine Openeye Name: (2S)-4-(2-chloro-4-nitro-phenyl)-2-methyl-1-methylsulfonyl-piperazine CAS Name: (2S)-4-(2-chloro-4-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine IUPAC Name: (2S)-4-(2-chloro-4-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine Traditional Name: (2S)-4-(2-chloro-4-nitro-phenyl)-1-mesyl-2-methyl-piperazine Formula: C12H16ClN3O4S MolecularWeight: 333.79114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H]1CN(CCN1S(=O)(=O)C)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H16ClN3O4S/c1-9-8-14(5-6-15(9)21(2,19)20)12-4-3-10(16(17)18)7-11(12)13/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m0/s1