3,3-dimethyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-2-one Openeye Name: 3,3-dimethyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-2-one CAS Name: 3,3-dimethyl-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-butanone IUPAC Name: 3,3-dimethyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-2-one Traditional Name: 3,3-dimethyl-1-[4-(3-nitrophenyl)sulfonylpiperazino]butan-2-one Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O5S/c1-16(2,3)15(20)12-17-7-9-18(10-8-17)25(23,24)14-6-4-5-13(11-14)19(21)22/h4-6,11H,7-10,12H2,1-3H3