3-[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]sulfinylpropanoic acid

Systemtic Name: 3-[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]sulfinylpropanoic acid Openeye Name: 3-[4-[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]piperazin-1-yl]sulfinylpropanoic acid CAS Name: 3-[[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-piperazinyl]sulfinyl]propanoic acid IUPAC Name: 3-[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]sulfinylpropanoic acid Traditional Name: 3-[4-[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]piperazino]sulfinylpropionic acid Formula: C21H22ClN5O3S MolecularWeight: 459.94908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl)S(=O)CCC(=O)O

Isomeric SMILES

C1CN(CCN1C2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl)S(=O)CCC(=O)O

InChI

InChI=1S/C21H22ClN5O3S/c22-17-3-1-16(2-4-17)20-19(15-5-8-23-9-6-15)21(25-24-20)26-10-12-27(13-11-26)31(30)14-7-18(28)29/h1-6,8-9H,7,10-14H2,(H,24,25)(H,28,29)