methyl 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[[4-(1,3-benzoxazol-2-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(1,3-benzoxazol-2-yl)piperidino]sulfonylbenzoic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H20N2O5S/c1-26-20(23)15-5-4-6-16(13-15)28(24,25)22-11-9-14(10-12-22)19-21-17-7-2-3-8-18(17)27-19/h2-8,13-14H,9-12H2,1H3