[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone

Systemtic Name: [4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone Openeye Name: [4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-(2,4,5-trimethyl-3-furyl)methanone CAS Name: [4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-(2,4,5-trimethyl-3-furanyl)methanone IUPAC Name: [4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone Traditional Name: [4-(4-mesyl-2-nitro-phenyl)piperazino]-(2,4,5-trimethyl-3-furyl)methanone Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(OC(=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C)C

InChI

InChI=1S/C19H23N3O6S/c1-12-13(2)28-14(3)18(12)19(23)21-9-7-20(8-10-21)16-6-5-15(29(4,26)27)11-17(16)22(24)25/h5-6,11H,7-10H2,1-4H3