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

Systemtic Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotoyl]isonipecotic acid Formula: C20H26N2O7S MolecularWeight: 438.49464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H26N2O7S/c23-19(21-7-3-15(4-8-21)20(24)25)14-5-9-22(10-6-14)30(26,27)16-1-2-17-18(13-16)29-12-11-28-17/h1-2,13-15H,3-12H2,(H,24,25)