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

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 4-oxidanylbenzoate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-2-25-20-11-10-18(31(28,29)24-12-4-3-5-13-24)14-19(20)23-21(25)15-30-22(27)16-6-8-17(26)9-7-16/h6-11,14,26H,2-5,12-13,15H2,1H3