1-(4-ethylsulfonyl-2-nitro-phenyl)-3-methyl-piperazine hydrochloride

Systemtic Name: 1-(4-ethylsulfonyl-2-nitro-phenyl)-3-methyl-piperazine hydrochloride Openeye Name: 1-(4-ethylsulfonyl-2-nitro-phenyl)-3-methyl-piperazine hydrochloride CAS Name: 1-(4-ethylsulfonyl-2-nitrophenyl)-3-methylpiperazine hydrochloride IUPAC Name: 1-(4-ethylsulfonyl-2-nitrophenyl)-3-methylpiperazine hydrochloride Traditional Name: 1-(4-esyl-2-nitro-phenyl)-3-methyl-piperazine hydrochloride Formula: C13H20ClN3O4S MolecularWeight: 349.8336

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)C)[N+](=O)[O-].Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)C)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H19N3O4S.ClH/c1-3-21(19,20)11-4-5-12(13(8-11)16(17)18)15-7-6-14-10(2)9-15;/h4-5,8,10,14H,3,6-7,9H2,1-2H3;1H