(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 4-methanoylbenzoate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 4-methanoylbenzoate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 4-formylbenzoate CAS Name: 4-formylbenzoic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 4-formylbenzoate Traditional Name: 4-formylbenzoic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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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(C=C4)C=O

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5S/c1-2-26-21-11-10-19(32(29,30)25-12-4-3-5-13-25)14-20(21)24-22(26)16-31-23(28)18-8-6-17(15-27)7-9-18/h6-11,14-15H,2-5,12-13,16H2,1H3