[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(2-furyl)methanone CAS Name: [4-(2,3-dimethyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazino]-(2-furyl)methanone Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3)[N+](=O)[O-]

InChI

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