1-(1,3-benzothiazol-2-yl)ethyl 5-piperidin-1-ylsulfonylfuran-2-carboxylate

Systemtic Name: 1-(1,3-benzothiazol-2-yl)ethyl 5-piperidin-1-ylsulfonylfuran-2-carboxylate Openeye Name: 1-(1,3-benzothiazol-2-yl)ethyl 5-(1-piperidylsulfonyl)furan-2-carboxylate CAS Name: 5-(1-piperidinylsulfonyl)-2-furancarboxylic acid 1-(1,3-benzothiazol-2-yl)ethyl ester IUPAC Name: 1-(1,3-benzothiazol-2-yl)ethyl 5-piperidin-1-ylsulfonylfuran-2-carboxylate Traditional Name: 5-piperidinosulfonylfuran-2-carboxylic acid 1-(1,3-benzothiazol-2-yl)ethyl ester Formula: C19H20N2O5S2 MolecularWeight: 420.5025

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)OC(=O)C3=CC=C(O3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)OC(=O)C3=CC=C(O3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C19H20N2O5S2/c1-13(18-20-14-7-3-4-8-16(14)27-18)25-19(22)15-9-10-17(26-15)28(23,24)21-11-5-2-6-12-21/h3-4,7-10,13H,2,5-6,11-12H2,1H3