6-[4-[2-[(4-bromophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-yl-hexanoic acid

Systemtic Name: 6-[4-[2-[(4-bromophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-yl-hexanoic acid Openeye Name: 6-[4-[2-[(4-bromophenyl)sulfonylamino]ethyl]phenyl]-6-(3-pyridyl)hexanoic acid CAS Name: 6-[4-[2-[(4-bromophenyl)sulfonylamino]ethyl]phenyl]-6-(3-pyridinyl)hexanoic acid IUPAC Name: 6-[4-[2-[(4-bromophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhexanoic acid Traditional Name: 6-[4-[2-(brosylamino)ethyl]phenyl]-6-(3-pyridyl)hexanoic acid Formula: C25H27BrN2O4S MolecularWeight: 531.46188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CCCCC(=O)O)C2=CC=C(C=C2)CCNS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CN=C1)C(CCCCC(=O)O)C2=CC=C(C=C2)CCNS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C25H27BrN2O4S/c26-22-11-13-23(14-12-22)33(31,32)28-17-15-19-7-9-20(10-8-19)24(5-1-2-6-25(29)30)21-4-3-16-27-18-21/h3-4,7-14,16,18,24,28H,1-2,5-6,15,17H2,(H,29,30)