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

Systemtic Name: 4-[4-[2-(2-azanyl-1,3-benzothiazol-5-yl)ethyl]phenyl]sulfonyl-3-phenyl-butanoic acid Openeye Name: 4-[4-[2-(2-amino-1,3-benzothiazol-5-yl)ethyl]phenyl]sulfonyl-3-phenyl-butanoic acid CAS Name: 4-[4-[2-(2-amino-1,3-benzothiazol-5-yl)ethyl]phenyl]sulfonyl-3-phenylbutanoic acid IUPAC Name: 4-[4-[2-(2-amino-1,3-benzothiazol-5-yl)ethyl]phenyl]sulfonyl-3-phenylbutanoic acid Traditional Name: 4-[4-[2-(2-amino-1,3-benzothiazol-5-yl)ethyl]phenyl]sulfonyl-3-phenyl-butyric acid Formula: C25H24N2O4S2 MolecularWeight: 480.59906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)CS(=O)(=O)C2=CC=C(C=C2)CCC3=CC4=C(C=C3)SC(=N4)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)CS(=O)(=O)C2=CC=C(C=C2)CCC3=CC4=C(C=C3)SC(=N4)N

InChI

InChI=1S/C25H24N2O4S2/c26-25-27-22-14-18(10-13-23(22)32-25)7-6-17-8-11-21(12-9-17)33(30,31)16-20(15-24(28)29)19-4-2-1-3-5-19/h1-5,8-14,20H,6-7,15-16H2,(H2,26,27)(H,28,29)