2-[[2-(1,3-benzothiazol-4-ylsulfonylamino)-4-iodanyl-phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-(1,3-benzothiazol-4-ylsulfonylamino)-4-iodanyl-phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(1,3-benzothiazol-4-ylsulfonylamino)-4-iodo-benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-(1,3-benzothiazol-4-ylsulfonylamino)-4-iodophenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(1,3-benzothiazol-4-ylsulfonylamino)-4-iodobenzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(1,3-benzothiazol-4-ylsulfonylamino)-4-iodo-benzoyl]amino]-3-phenyl-propionic acid Formula: C23H18IN3O5S2 MolecularWeight: 607.44059

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=C(C=C(C=C2)I)NS(=O)(=O)C3=CC=CC4=C3N=CS4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=C(C=C(C=C2)I)NS(=O)(=O)C3=CC=CC4=C3N=CS4

InChI

InChI=1S/C23H18IN3O5S2/c24-15-9-10-16(22(28)26-18(23(29)30)11-14-5-2-1-3-6-14)17(12-15)27-34(31,32)20-8-4-7-19-21(20)25-13-33-19/h1-10,12-13,18,27H,11H2,(H,26,28)(H,29,30)