4-[(4-bromophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanoic acid

Systemtic Name: 4-[(4-bromophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanoic acid Openeye Name: 4-[(4-bromophenyl)sulfonyl-(3-pyridylmethyl)amino]butanoic acid CAS Name: 4-[(4-bromophenyl)sulfonyl-(3-pyridinylmethyl)amino]butanoic acid IUPAC Name: 4-[(4-bromophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanoic acid Traditional Name: 4-[brosyl(3-pyridylmethyl)amino]butyric acid Formula: C16H17BrN2O4S MolecularWeight: 413.28618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CN=C1)CN(CCCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H17BrN2O4S/c17-14-5-7-15(8-6-14)24(22,23)19(10-2-4-16(20)21)12-13-3-1-9-18-11-13/h1,3,5-9,11H,2,4,10,12H2,(H,20,21)