2-[(5-chloranyl-2-phenyl-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[(5-chloranyl-2-phenyl-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[(5-chloro-2-phenyl-phenyl)sulfonylamino]propanoic acid CAS Name: 2-[(5-chloro-2-phenylphenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[(5-chloro-2-phenylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(benzylthio)-2-[(5-chloro-2-phenyl-phenyl)sulfonylamino]propionic acid Formula: C22H20ClNO4S2 MolecularWeight: 461.9815

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)O)NS(=O)(=O)C2=C(C=CC(=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)O)NS(=O)(=O)C2=C(C=CC(=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H20ClNO4S2/c23-18-11-12-19(17-9-5-2-6-10-17)21(13-18)30(27,28)24-20(22(25)26)15-29-14-16-7-3-1-4-8-16/h1-13,20,24H,14-15H2,(H,25,26)