4-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]butane-1-sulfonic acid

Systemtic Name: 4-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]butane-1-sulfonic acid Openeye Name: 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]butane-1-sulfonic acid CAS Name: 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-1-butanesulfonic acid IUPAC Name: 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]butane-1-sulfonic acid Traditional Name: 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]butane-1-sulfonic acid Formula: C14H19ClF3N3O3S MolecularWeight: 401.83217

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCS(=O)(=O)O)C2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1CCCCS(=O)(=O)O)C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C14H19ClF3N3O3S/c15-12-9-11(14(16,17)18)10-19-13(12)21-6-4-20(5-7-21)3-1-2-8-25(22,23)24/h9-10H,1-8H2,(H,22,23,24)