4-[3-[(2-azanyl-1,3-benzothiazol-5-yl)oxy]phenyl]sulfonyl-3-phenyl-butanoic acid

Systemtic Name: 4-[3-[(2-azanyl-1,3-benzothiazol-5-yl)oxy]phenyl]sulfonyl-3-phenyl-butanoic acid Openeye Name: 4-[3-[(2-amino-1,3-benzothiazol-5-yl)oxy]phenyl]sulfonyl-3-phenyl-butanoic acid CAS Name: 4-[3-[(2-amino-1,3-benzothiazol-5-yl)oxy]phenyl]sulfonyl-3-phenylbutanoic acid IUPAC Name: 4-[3-[(2-amino-1,3-benzothiazol-5-yl)oxy]phenyl]sulfonyl-3-phenylbutanoic acid Traditional Name: 4-[3-[(2-amino-1,3-benzothiazol-5-yl)oxy]phenyl]sulfonyl-3-phenyl-butyric acid Formula: C23H20N2O5S2 MolecularWeight: 468.5453

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)CS(=O)(=O)C2=CC=CC(=C2)OC3=CC4=C(C=C3)SC(=N4)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)CS(=O)(=O)C2=CC=CC(=C2)OC3=CC4=C(C=C3)SC(=N4)N

InChI

InChI=1S/C23H20N2O5S2/c24-23-25-20-13-18(9-10-21(20)31-23)30-17-7-4-8-19(12-17)32(28,29)14-16(11-22(26)27)15-5-2-1-3-6-15/h1-10,12-13,16H,11,14H2,(H2,24,25)(H,26,27)