1-(1-benzo[g][1,2,3]benzoxadiazol-5-ylsulfonylpiperidin-4-yl)piperidine-3-carboxylic acid

Systemtic Name: 1-(1-benzo[g][1,2,3]benzoxadiazol-5-ylsulfonylpiperidin-4-yl)piperidine-3-carboxylic acid Openeye Name: 1-(1-benzo[g][1,2,3]benzoxadiazol-5-ylsulfonyl-4-piperidyl)piperidine-3-carboxylic acid CAS Name: 1-[1-(5-benzo[g][1,2,3]benzoxadiazolylsulfonyl)-4-piperidinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(1-benzo[g][1,2,3]benzoxadiazol-5-ylsulfonylpiperidin-4-yl)piperidine-3-carboxylic acid Traditional Name: 1-(1-benzo[g][1,2,3]benzoxadiazol-5-ylsulfonyl-4-piperidyl)nipecotic acid Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C5=CC=CC=C53)ON=N4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C5=CC=CC=C53)ON=N4)C(=O)O

InChI

InChI=1S/C21H24N4O5S/c26-21(27)14-4-3-9-24(13-14)15-7-10-25(11-8-15)31(28,29)19-12-18-20(30-23-22-18)17-6-2-1-5-16(17)19/h1-2,5-6,12,14-15H,3-4,7-11,13H2,(H,26,27)