4-[4-[[(4-bromophenyl)sulfonylamino]-pyridin-3-yl-methyl]phenyl]butanoic acid

Systemtic Name: 4-[4-[[(4-bromophenyl)sulfonylamino]-pyridin-3-yl-methyl]phenyl]butanoic acid Openeye Name: 4-[4-[[(4-bromophenyl)sulfonylamino]-(3-pyridyl)methyl]phenyl]butanoic acid CAS Name: 4-[4-[[(4-bromophenyl)sulfonylamino]-(3-pyridinyl)methyl]phenyl]butanoic acid IUPAC Name: 4-[4-[[(4-bromophenyl)sulfonylamino]-pyridin-3-ylmethyl]phenyl]butanoic acid Traditional Name: 4-[4-[(brosylamino)-(3-pyridyl)methyl]phenyl]butyric acid Formula: C22H21BrN2O4S MolecularWeight: 489.38214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(C2=CC=C(C=C2)CCCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CN=C1)C(C2=CC=C(C=C2)CCCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H21BrN2O4S/c23-19-10-12-20(13-11-19)30(28,29)25-22(18-4-2-14-24-15-18)17-8-6-16(7-9-17)3-1-5-21(26)27/h2,4,6-15,22,25H,1,3,5H2,(H,26,27)