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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)CC(=O)O)Cl)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)CC(=O)O)Cl)C4=CC=NC=C4

InChI

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