ethyl 5-[4-(3-methyl-2-nitro-phenyl)carbonylpiperazin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-(3-methyl-2-nitro-phenyl)carbonylpiperazin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[4-(3-methyl-2-nitro-benzoyl)piperazin-1-yl]sulfonylfuran-2-carboxylate CAS Name: 5-[[4-[(3-methyl-2-nitrophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(3-methyl-2-nitrobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-(3-methyl-2-nitro-benzoyl)piperazino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C19H21N3O8S MolecularWeight: 451.45034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O8S/c1-3-29-19(24)15-7-8-16(30-15)31(27,28)21-11-9-20(10-12-21)18(23)14-6-4-5-13(2)17(14)22(25)26/h4-8H,3,9-12H2,1-2H3