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

Systemtic Name: methyl 4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[[4-(1,3-benzoxazol-2-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[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=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

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

InChI

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