3-[5-[(4-methylsulfonylphenyl)sulfonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[(4-methylsulfonylphenyl)sulfonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[(4-methylsulfonylphenyl)sulfonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[(4-methylsulfonylphenyl)sulfonylamino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[(4-methylsulfonylphenyl)sulfonylamino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[(4-mesylphenyl)sulfonylamino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C23H21N3O6S2 MolecularWeight: 499.55934

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O6S2/c1-33(29,30)18-8-10-19(11-9-18)34(31,32)25-17-7-12-21-20(13-17)24-15-26(21)22(14-23(27)28)16-5-3-2-4-6-16/h2-13,15,22,25H,14H2,1H3,(H,27,28)