ethyl 5-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate CAS Name: 5-[[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-(1-phenyltetrazol-5-yl)piperazino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C18H20N6O5S MolecularWeight: 432.4536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H20N6O5S/c1-2-28-17(25)15-8-9-16(29-15)30(26,27)23-12-10-22(11-13-23)18-19-20-21-24(18)14-6-4-3-5-7-14/h3-9H,2,10-13H2,1H3