3-[4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]propanoate

Systemtic Name: 3-[4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]propanoate Openeye Name: 3-[4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]propanoate CAS Name: 3-[4-[[2-(phenylthio)phenyl]sulfamoyl]phenyl]propanoate IUPAC Name: 3-[4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]propanoate Traditional Name: 3-[4-[[2-(phenylthio)phenyl]sulfamoyl]phenyl]propionate Formula: C21H18NO4S2- MolecularWeight: 412.50192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)[O-]

InChI

InChI=1S/C21H19NO4S2/c23-21(24)15-12-16-10-13-18(14-11-16)28(25,26)22-19-8-4-5-9-20(19)27-17-6-2-1-3-7-17/h1-11,13-14,22H,12,15H2,(H,23,24)/p-1