3-[4-[1-(4-chlorophenyl)sulfonyl-7-pyridin-3-yl-heptan-3-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[1-(4-chlorophenyl)sulfonyl-7-pyridin-3-yl-heptan-3-yl]phenyl]propanoic acid Openeye Name: 3-[4-[1-[2-(4-chlorophenyl)sulfonylethyl]-5-(3-pyridyl)pentyl]phenyl]propanoic acid CAS Name: 3-[4-[1-(4-chlorophenyl)sulfonyl-7-(3-pyridinyl)heptan-3-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-(4-chlorophenyl)sulfonyl-7-pyridin-3-ylheptan-3-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-[2-(4-chlorophenyl)sulfonylethyl]-5-(3-pyridyl)pentyl]phenyl]propionic acid Formula: C27H30ClNO4S MolecularWeight: 500.0494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCCC(CCS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CCCCC(CCS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C27H30ClNO4S/c28-25-12-14-26(15-13-25)34(32,33)19-17-23(6-2-1-4-22-5-3-18-29-20-22)24-10-7-21(8-11-24)9-16-27(30)31/h3,5,7-8,10-15,18,20,23H,1-2,4,6,9,16-17,19H2,(H,30,31)