ethyl 4-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[2-(1-piperidylmethyl)benzimidazol-1-yl]sulfonylbenzoate CAS Name: 4-[[2-(1-piperidinylmethyl)-1-benzimidazolyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]sulfonylbenzoate Traditional Name: 4-[2-(piperidinomethyl)benzimidazol-1-yl]sulfonylbenzoic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2CN4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2CN4CCCCC4

InChI

InChI=1S/C22H25N3O4S/c1-2-29-22(26)17-10-12-18(13-11-17)30(27,28)25-20-9-5-4-8-19(20)23-21(25)16-24-14-6-3-7-15-24/h4-5,8-13H,2-3,6-7,14-16H2,1H3