2-methyl-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 2-methyl-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 2-methyl-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 2-methyl-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 2-methyl-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 2-methyl-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]butan-1-one Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5S/c1-4-12(2)16(20)17-7-9-18(10-8-17)25(23,24)15-11-14(19(21)22)6-5-13(15)3/h5-6,11-12H,4,7-10H2,1-3H3