2-[[4-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]phenyl]sulfonylamino]acetic acid Formula: C17H17BrN2O5S2 MolecularWeight: 473.36128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C17H17BrN2O5S2/c1-11-8-12(18)2-7-15(11)26-10-16(21)20-13-3-5-14(6-4-13)27(24,25)19-9-17(22)23/h2-8,19H,9-10H2,1H3,(H,20,21)(H,22,23)