3-[[4-[2-[(3-bromophenyl)methylsulfanyl]ethanoylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[2-[(3-bromophenyl)methylsulfanyl]ethanoylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[2-[(3-bromophenyl)methylthio]-1-oxoethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[2-[(3-bromobenzyl)thio]acetyl]amino]phenyl]sulfonylamino]propionic acid Formula: C18H19BrN2O5S2 MolecularWeight: 487.38786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C18H19BrN2O5S2/c19-14-3-1-2-13(10-14)11-27-12-17(22)21-15-4-6-16(7-5-15)28(25,26)20-9-8-18(23)24/h1-7,10,20H,8-9,11-12H2,(H,21,22)(H,23,24)