3-phenyl-4-[3-[3-(pyridin-2-ylamino)butoxy]phenyl]sulfonyl-butanoic acid

Systemtic Name: 3-phenyl-4-[3-[3-(pyridin-2-ylamino)butoxy]phenyl]sulfonyl-butanoic acid Openeye Name: 3-phenyl-4-[3-[3-(2-pyridylamino)butoxy]phenyl]sulfonyl-butanoic acid CAS Name: 3-phenyl-4-[3-[3-(2-pyridinylamino)butoxy]phenyl]sulfonylbutanoic acid IUPAC Name: 3-phenyl-4-[3-[3-(pyridin-2-ylamino)butoxy]phenyl]sulfonylbutanoic acid Traditional Name: 3-phenyl-4-[3-[3-(2-pyridylamino)butoxy]phenyl]sulfonyl-butyric acid Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=CC(=CC=C1)S(=O)(=O)CC(CC(=O)O)C2=CC=CC=C2)NC3=CC=CC=N3

Isomeric SMILES

CC(CCOC1=CC(=CC=C1)S(=O)(=O)CC(CC(=O)O)C2=CC=CC=C2)NC3=CC=CC=N3

InChI

InChI=1S/C25H28N2O5S/c1-19(27-24-12-5-6-14-26-24)13-15-32-22-10-7-11-23(17-22)33(30,31)18-21(16-25(28)29)20-8-3-2-4-9-20/h2-12,14,17,19,21H,13,15-16,18H2,1H3,(H,26,27)(H,28,29)