2-[(4-bromanylnaphthalen-1-yl)sulfonyl-propyl-amino]benzoic acid

Systemtic Name: 2-[(4-bromanylnaphthalen-1-yl)sulfonyl-propyl-amino]benzoic acid Openeye Name: 2-[(4-bromo-1-naphthyl)sulfonyl-propyl-amino]benzoic acid CAS Name: 2-[(4-bromo-1-naphthalenyl)sulfonyl-propylamino]benzoic acid IUPAC Name: 2-[(4-bromonaphthalen-1-yl)sulfonyl-propylamino]benzoic acid Traditional Name: 2-[(4-bromo-1-naphthyl)sulfonyl-propyl-amino]benzoic acid Formula: C20H18BrNO4S MolecularWeight: 448.33022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C3=CC=CC=C32)Br

Isomeric SMILES

CCCN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C3=CC=CC=C32)Br

InChI

InChI=1S/C20H18BrNO4S/c1-2-13-22(18-10-6-5-9-16(18)20(23)24)27(25,26)19-12-11-17(21)14-7-3-4-8-15(14)19/h3-12H,2,13H2,1H3,(H,23,24)