6-(4-ethylpiperazin-1-yl)-5-(thiophen-2-ylsulfonylamino)pyridine-3-carboxylic acid

Systemtic Name: 6-(4-ethylpiperazin-1-yl)-5-(thiophen-2-ylsulfonylamino)pyridine-3-carboxylic acid Openeye Name: 6-(4-ethylpiperazin-1-yl)-5-(2-thienylsulfonylamino)pyridine-3-carboxylic acid CAS Name: 6-(4-ethyl-1-piperazinyl)-5-(thiophen-2-ylsulfonylamino)-3-pyridinecarboxylic acid IUPAC Name: 6-(4-ethylpiperazin-1-yl)-5-(thiophen-2-ylsulfonylamino)pyridine-3-carboxylic acid Traditional Name: 6-(4-ethylpiperazino)-5-(2-thienylsulfonylamino)nicotinic acid Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=N2)C(=O)O)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=N2)C(=O)O)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H20N4O4S2/c1-2-19-5-7-20(8-6-19)15-13(10-12(11-17-15)16(21)22)18-26(23,24)14-4-3-9-25-14/h3-4,9-11,18H,2,5-8H2,1H3,(H,21,22)