methyl 2,5-dimethyl-4-piperazin-1-ylsulfonyl-furan-3-carboxylate

Systemtic Name: methyl 2,5-dimethyl-4-piperazin-1-ylsulfonyl-furan-3-carboxylate Openeye Name: methyl 2,5-dimethyl-4-piperazin-1-ylsulfonyl-furan-3-carboxylate CAS Name: 2,5-dimethyl-4-(1-piperazinylsulfonyl)-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2,5-dimethyl-4-piperazin-1-ylsulfonylfuran-3-carboxylate Traditional Name: 2,5-dimethyl-4-piperazinosulfonyl-furan-3-carboxylic acid methyl ester Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)C)S(=O)(=O)N2CCNCC2)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(O1)C)S(=O)(=O)N2CCNCC2)C(=O)OC

InChI

InChI=1S/C12H18N2O5S/c1-8-10(12(15)18-3)11(9(2)19-8)20(16,17)14-6-4-13-5-7-14/h13H,4-7H2,1-3H3