2-chloranyl-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridine-3-carboxylate

Systemtic Name: 2-chloranyl-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridine-3-carboxylate Openeye Name: 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridine-3-carboxylate CAS Name: 2-chloro-5-[(4-ethyl-1-piperazinyl)sulfonyl]-3-pyridinecarboxylate IUPAC Name: 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxylate Traditional Name: 2-chloro-5-(4-ethylpiperazino)sulfonyl-nicotinate Formula: C12H15ClN3O4S- MolecularWeight: 332.7832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C(=C2)C(=O)[O-])Cl

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C(=C2)C(=O)[O-])Cl

InChI

InChI=1S/C12H16ClN3O4S/c1-2-15-3-5-16(6-4-15)21(19,20)9-7-10(12(17)18)11(13)14-8-9/h7-8H,2-6H2,1H3,(H,17,18)/p-1