2-[4-chloranyl-3-[piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methyl]sulfonyl-phenyl]ethanoic acid

Systemtic Name: 2-[4-chloranyl-3-[piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methyl]sulfonyl-phenyl]ethanoic acid Openeye Name: 2-[4-chloro-3-[piperazin-1-yl-[1-(4-pyridyl)-4-piperidyl]methyl]sulfonyl-phenyl]acetic acid CAS Name: 2-[4-chloro-3-[1-piperazinyl-(1-pyridin-4-yl-4-piperidinyl)methyl]sulfonylphenyl]acetic acid IUPAC Name: 2-[4-chloro-3-[piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methyl]sulfonylphenyl]acetic acid Traditional Name: 2-[4-chloro-3-[piperazino-[1-(4-pyridyl)-4-piperidyl]methyl]sulfonyl-phenyl]acetic acid Formula: C23H29ClN4O4S MolecularWeight: 493.01876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(N2CCNCC2)S(=O)(=O)C3=C(C=CC(=C3)CC(=O)O)Cl)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1C(N2CCNCC2)S(=O)(=O)C3=C(C=CC(=C3)CC(=O)O)Cl)C4=CC=NC=C4

InChI

InChI=1S/C23H29ClN4O4S/c24-20-2-1-17(16-22(29)30)15-21(20)33(31,32)23(28-13-9-26-10-14-28)18-5-11-27(12-6-18)19-3-7-25-8-4-19/h1-4,7-8,15,18,23,26H,5-6,9-14,16H2,(H,29,30)