ethyl 2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate Openeye Name: ethyl 2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-(3-nitrophenyl)sulfonylpiperazino]methyl]furan-3-carboxylic acid ethyl ester Formula: C18H21N3O7S MolecularWeight: 423.44024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O7S/c1-2-27-18(22)16-6-11-28-17(16)13-19-7-9-20(10-8-19)29(25,26)15-5-3-4-14(12-15)21(23)24/h3-6,11-12H,2,7-10,13H2,1H3