3-(acetamidomethylsulfanyl)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-(acetamidomethylsulfanyl)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid Openeye Name: 3-(acetamidomethylsulfanyl)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid CAS Name: 3-(acetamidomethylthio)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-(acetamidomethylsulfanyl)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid Traditional Name: 3-(acetamidomethylthio)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propionic acid Formula: C18H19ClN2O5S2 MolecularWeight: 442.93686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)NCSCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H19ClN2O5S2/c1-12(22)20-11-27-10-17(18(23)24)21-28(25,26)16-8-4-14(5-9-16)13-2-6-15(19)7-3-13/h2-9,17,21H,10-11H2,1H3,(H,20,22)(H,23,24)