4-[4-[2-(6-azanylpyridin-3-yl)ethyl]phenyl]sulfonyl-3-phenyl-butanoic acid

Systemtic Name: 4-[4-[2-(6-azanylpyridin-3-yl)ethyl]phenyl]sulfonyl-3-phenyl-butanoic acid Openeye Name: 4-[4-[2-(6-amino-3-pyridyl)ethyl]phenyl]sulfonyl-3-phenyl-butanoic acid CAS Name: 4-[4-[2-(6-amino-3-pyridinyl)ethyl]phenyl]sulfonyl-3-phenylbutanoic acid IUPAC Name: 4-[4-[2-(6-aminopyridin-3-yl)ethyl]phenyl]sulfonyl-3-phenylbutanoic acid Traditional Name: 4-[4-[2-(6-amino-3-pyridyl)ethyl]phenyl]sulfonyl-3-phenyl-butyric acid Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)CS(=O)(=O)C2=CC=C(C=C2)CCC3=CN=C(C=C3)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)CS(=O)(=O)C2=CC=C(C=C2)CCC3=CN=C(C=C3)N

InChI

InChI=1S/C23H24N2O4S/c24-22-13-10-18(15-25-22)7-6-17-8-11-21(12-9-17)30(28,29)16-20(14-23(26)27)19-4-2-1-3-5-19/h1-5,8-13,15,20H,6-7,14,16H2,(H2,24,25)(H,26,27)