4-[4-[(4-fluorophenyl)-pyridin-2-yl-methyl]piperazin-1-yl]butane-1-sulfonic acid

Systemtic Name: 4-[4-[(4-fluorophenyl)-pyridin-2-yl-methyl]piperazin-1-yl]butane-1-sulfonic acid Openeye Name: 4-[4-[(4-fluorophenyl)-(2-pyridyl)methyl]piperazin-1-yl]butane-1-sulfonic acid CAS Name: 4-[4-[(4-fluorophenyl)-(2-pyridinyl)methyl]-1-piperazinyl]-1-butanesulfonic acid IUPAC Name: 4-[4-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]butane-1-sulfonic acid Traditional Name: 4-[4-[(4-fluorophenyl)-(2-pyridyl)methyl]piperazino]butane-1-sulfonic acid Formula: C20H26FN3O3S MolecularWeight: 407.502143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCS(=O)(=O)O)C(C2=CC=C(C=C2)F)C3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCCS(=O)(=O)O)C(C2=CC=C(C=C2)F)C3=CC=CC=N3

InChI

InChI=1S/C20H26FN3O3S/c21-18-8-6-17(7-9-18)20(19-5-1-2-10-22-19)24-14-12-23(13-15-24)11-3-4-16-28(25,26)27/h1-2,5-10,20H,3-4,11-16H2,(H,25,26,27)