1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 1-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 1-(4-nosylpiperazino)butan-1-one Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O5S/c1-2-3-14(18)15-8-10-16(11-9-15)23(21,22)13-6-4-12(5-7-13)17(19)20/h4-7H,2-3,8-11H2,1H3