2-[[4-(4-bromanylphenoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[4-(4-bromanylphenoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-butanoic acid Openeye Name: 2-[[4-(4-bromophenoxy)phenyl]sulfonyl-(3-pyridylmethyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[4-(4-bromophenoxy)phenyl]sulfonyl-(3-pyridinylmethyl)amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-(4-bromophenoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid Traditional Name: 2-[[4-(4-bromophenoxy)phenyl]sulfonyl-(3-pyridylmethyl)amino]-3-methyl-butyric acid Formula: C23H23BrN2O5S MolecularWeight: 519.40812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)C(C(=O)O)N(CC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H23BrN2O5S/c1-16(2)22(23(27)28)26(15-17-4-3-13-25-14-17)32(29,30)21-11-9-20(10-12-21)31-19-7-5-18(24)6-8-19/h3-14,16,22H,15H2,1-2H3,(H,27,28)