1-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-(4-methyl-3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazino]ethanone Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5S/c1-10-3-4-12(9-13(10)16(18)19)22(20,21)15-7-5-14(6-8-15)11(2)17/h3-4,9H,5-8H2,1-2H3