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

Systemtic Name: ethyl 2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate Openeye Name: ethyl 2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-(2-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)14-7-12-28-16(14)13-19-8-10-20(11-9-19)29(25,26)17-6-4-3-5-15(17)21(23)24/h3-7,12H,2,8-11,13H2,1H3