3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]carbonylamino]propanoate

Systemtic Name: 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]carbonylamino]propanoate Openeye Name: 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carbonyl]amino]propanoate CAS Name: 3-[[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]propanoate IUPAC Name: 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carbonyl]amino]propanoate Traditional Name: 3-[(1-piazthiol-4-ylsulfonylisonipecotoyl)amino]propionate Formula: C15H17N4O5S2- MolecularWeight: 397.44928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC(=O)[O-])S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

C1CN(CCC1C(=O)NCCC(=O)[O-])S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C15H18N4O5S2/c20-13(21)4-7-16-15(22)10-5-8-19(9-6-10)26(23,24)12-3-1-2-11-14(12)18-25-17-11/h1-3,10H,4-9H2,(H,16,22)(H,20,21)/p-1