2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-oxidanyl-5-(1,3-thiazol-2-ylsulfanyl)pentanoic acid

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-oxidanyl-5-(1,3-thiazol-2-ylsulfanyl)pentanoic acid Openeye Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-hydroxy-5-thiazol-2-ylsulfanyl-pentanoic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-hydroxy-5-(2-thiazolylthio)pentanoic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-hydroxy-5-(1,3-thiazol-2-ylsulfanyl)pentanoic acid Traditional Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-hydroxy-5-(thiazol-2-ylthio)valeric acid Formula: C20H19BrN2O5S3 MolecularWeight: 543.47426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)Br)S(=O)(=O)NC(CC(CSC3=NC=CS3)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)Br)S(=O)(=O)NC(CC(CSC3=NC=CS3)O)C(=O)O

InChI

InChI=1S/C20H19BrN2O5S3/c21-15-5-1-13(2-6-15)14-3-7-17(8-4-14)31(27,28)23-18(19(25)26)11-16(24)12-30-20-22-9-10-29-20/h1-10,16,18,23-24H,11-12H2,(H,25,26)