(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 3-fluoranylbenzoate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 3-fluoranylbenzoate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C22H24FN3O4S MolecularWeight: 445.507063

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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(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C22H24FN3O4S/c1-2-26-20-10-9-18(31(28,29)25-11-4-3-5-12-25)14-19(20)24-21(26)15-30-22(27)16-7-6-8-17(23)13-16/h6-10,13-14H,2-5,11-12,15H2,1H3