methyl 2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]sulfonylbenzoic acid methyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C20H21N3O5S/c1-28-19(24)15-6-2-5-9-18(15)29(26,27)22-12-10-14(11-13-22)23-17-8-4-3-7-16(17)21-20(23)25/h2-9,14H,10-13H2,1H3,(H,21,25)