(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 5-bromanylfuran-2-carboxylate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 5-bromanylfuran-2-carboxylate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=CC=C(O4)Br

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=CC=C(O4)Br

InChI

InChI=1S/C20H22BrN3O5S/c1-2-24-16-7-6-14(30(26,27)23-10-4-3-5-11-23)12-15(16)22-19(24)13-28-20(25)17-8-9-18(21)29-17/h6-9,12H,2-5,10-11,13H2,1H3