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

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-phenyl-3-pyridin-3-ylsulfanyl-propanoic acid Openeye Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-phenyl-3-(3-pyridylsulfanyl)propanoic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-phenyl-3-(3-pyridinylthio)propanoic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-phenyl-3-pyridin-3-ylsulfanylpropanoic acid Traditional Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-phenyl-3-(3-pyridylthio)propionic acid Formula: C26H21BrN2O4S2 MolecularWeight: 569.48994

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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)SC4=CN=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)SC4=CN=CC=C4

InChI

InChI=1S/C26H21BrN2O4S2/c27-21-12-8-18(9-13-21)19-10-14-23(15-11-19)35(32,33)29-24(26(30)31)25(20-5-2-1-3-6-20)34-22-7-4-16-28-17-22/h1-17,24-25,29H,(H,30,31)