2-[4-(2-methylsulfonyl-4-nitro-phenyl)piperazin-1-yl]ethanol

Systemtic Name: 2-[4-(2-methylsulfonyl-4-nitro-phenyl)piperazin-1-yl]ethanol Openeye Name: 2-[4-(2-methylsulfonyl-4-nitro-phenyl)piperazin-1-yl]ethanol CAS Name: 2-[4-(2-methylsulfonyl-4-nitrophenyl)-1-piperazinyl]ethanol IUPAC Name: 2-[4-(2-methylsulfonyl-4-nitrophenyl)piperazin-1-yl]ethanol Traditional Name: 2-[4-(2-mesyl-4-nitro-phenyl)piperazino]ethanol Formula: C13H19N3O5S MolecularWeight: 329.37206

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CCO

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CCO

InChI

InChI=1S/C13H19N3O5S/c1-22(20,21)13-10-11(16(18)19)2-3-12(13)15-6-4-14(5-7-15)8-9-17/h2-3,10,17H,4-9H2,1H3