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

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 3-oxidanylbenzoate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 3-hydroxybenzoate CAS Name: 3-hydroxybenzoic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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