1-(2-chloranyl-6-nitro-phenyl)-4-ethylsulfonyl-piperazine

Systemtic Name: 1-(2-chloranyl-6-nitro-phenyl)-4-ethylsulfonyl-piperazine Openeye Name: 1-(2-chloro-6-nitro-phenyl)-4-ethylsulfonyl-piperazine CAS Name: 1-(2-chloro-6-nitrophenyl)-4-ethylsulfonylpiperazine IUPAC Name: 1-(2-chloro-6-nitrophenyl)-4-ethylsulfonylpiperazine Traditional Name: 1-(2-chloro-6-nitro-phenyl)-4-esyl-piperazine Formula: C12H16ClN3O4S MolecularWeight: 333.79114

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)[N+](=O)[O-]

InChI

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