5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitro-aniline

Systemtic Name: 5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitro-aniline Openeye Name: 5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitro-aniline CAS Name: 5-(4-ethylsulfonyl-1-piperazinyl)-N-methyl-2-nitroaniline IUPAC Name: 5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline Traditional Name: [5-(4-esylpiperazino)-2-nitro-phenyl]-methyl-amine Formula: C13H20N4O4S MolecularWeight: 328.3873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O4S/c1-3-22(20,21)16-8-6-15(7-9-16)11-4-5-13(17(18)19)12(10-11)14-2/h4-5,10,14H,3,6-9H2,1-2H3