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

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-(2-phenoxyethylsulfanyl)-3-phenyl-propanoic acid Openeye Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-(2-phenoxyethylsulfanyl)-3-phenyl-propanoic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-(2-phenoxyethylthio)-3-phenylpropanoic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-(2-phenoxyethylsulfanyl)-3-phenylpropanoic acid Traditional Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-(2-phenoxyethylthio)-3-phenyl-propionic acid Formula: C29H26BrNO5S2 MolecularWeight: 612.55444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)SCCOC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)SCCOC4=CC=CC=C4

InChI

InChI=1S/C29H26BrNO5S2/c30-24-15-11-21(12-16-24)22-13-17-26(18-14-22)38(34,35)31-27(29(32)33)28(23-7-3-1-4-8-23)37-20-19-36-25-9-5-2-6-10-25/h1-18,27-28,31H,19-20H2,(H,32,33)