methyl 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C22H23NO7S MolecularWeight: 445.48552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H23NO7S/c1-28-22(25)17-3-2-4-18(13-17)31(26,27)23-9-7-15(8-10-23)21(24)16-5-6-19-20(14-16)30-12-11-29-19/h2-6,13-15H,7-12H2,1H3