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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)CS(=O)(=O)C2=CC=CC(=C2)OCCCCNC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)CS(=O)(=O)C2=CC=CC(=C2)OCCCCNC3=CC=CC=N3

InChI

InChI=1S/C25H28N2O5S/c28-25(29)17-21(20-9-2-1-3-10-20)19-33(30,31)23-12-8-11-22(18-23)32-16-7-6-15-27-24-13-4-5-14-26-24/h1-5,8-14,18,21H,6-7,15-17,19H2,(H,26,27)(H,28,29)