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

Systemtic Name: methyl 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(1H-benzimidazol-2-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(1H-benzimidazol-2-yl)piperidino]sulfonylbenzoic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H21N3O4S/c1-27-20(24)15-6-2-5-9-18(15)28(25,26)23-12-10-14(11-13-23)19-21-16-7-3-4-8-17(16)22-19/h2-9,14H,10-13H2,1H3,(H,21,22)