methyl 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotoyl]isonipecotic acid methyl ester Formula: C21H28N2O7S MolecularWeight: 452.52122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H28N2O7S/c1-28-21(25)16-4-8-22(9-5-16)20(24)15-6-10-23(11-7-15)31(26,27)17-2-3-18-19(14-17)30-13-12-29-18/h2-3,14-16H,4-13H2,1H3