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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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