(5-methylfuran-2-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (5-methylfuran-2-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (5-methyl-2-furyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (5-methyl-2-furanyl)-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (5-methylfuran-2-yl)-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-(4-mesyl-2-nitro-phenyl)piperazino]-(5-methyl-2-furyl)methanone Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6S/c1-12-3-6-16(26-12)17(21)19-9-7-18(8-10-19)14-5-4-13(27(2,24)25)11-15(14)20(22)23/h3-6,11H,7-10H2,1-2H3