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

Systemtic Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 1-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotoyl]amino]cyclohexanecarboxylic acid Formula: C21H28N2O7S MolecularWeight: 452.52122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(CC1)(C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H28N2O7S/c24-19(22-21(20(25)26)8-2-1-3-9-21)15-6-10-23(11-7-15)31(27,28)16-4-5-17-18(14-16)30-13-12-29-17/h4-5,14-15H,1-3,6-13H2,(H,22,24)(H,25,26)