3-methyl-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]butan-1-one Traditional Name: 1-[4-(4-mesyl-2-nitro-phenyl)piperazino]-3-methyl-butan-1-one Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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