3-[4-(benzo[e][1,3]benzothiazol-2-ylsulfamoyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(benzo[e][1,3]benzothiazol-2-ylsulfamoyl)phenyl]propanoic acid Openeye Name: 3-[4-(benzo[e][1,3]benzothiazol-2-ylsulfamoyl)phenyl]propanoic acid CAS Name: 3-[4-(2-benzo[e][1,3]benzothiazolylsulfamoyl)phenyl]propanoic acid IUPAC Name: 3-[4-(benzo[e][1,3]benzothiazol-2-ylsulfamoyl)phenyl]propanoic acid Traditional Name: 3-[4-(benzo[e][1,3]benzothiazol-2-ylsulfamoyl)phenyl]propionic acid Formula: C20H16N2O4S2 MolecularWeight: 412.48204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C20H16N2O4S2/c23-18(24)12-7-13-5-9-15(10-6-13)28(25,26)22-20-21-19-16-4-2-1-3-14(16)8-11-17(19)27-20/h1-6,8-11H,7,12H2,(H,21,22)(H,23,24)