3-[[5-(1H-benzimidazol-2-ylmethylcarbamoyl)thiophen-2-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[[5-(1H-benzimidazol-2-ylmethylcarbamoyl)thiophen-2-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[5-(1H-benzimidazol-2-ylmethylcarbamoyl)thiophene-2-carbonyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[[5-[(1H-benzimidazol-2-ylmethylamino)-oxomethyl]-2-thiophenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[5-(1H-benzimidazol-2-ylmethylcarbamoyl)thiophene-2-carbonyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[5-(1H-benzimidazol-2-ylmethylcarbamoyl)thiophene-2-carbonyl]amino]propionic acid Formula: C23H21N5O6S2 MolecularWeight: 527.57274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC=C(S2)C(=O)NCC3=NC4=CC=CC=C4N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC=C(S2)C(=O)NCC3=NC4=CC=CC=C4N3)C(=O)O

InChI

InChI=1S/C23H21N5O6S2/c29-21(24-12-17(23(31)32)28-36(33,34)14-6-2-1-3-7-14)18-10-11-19(35-18)22(30)25-13-20-26-15-8-4-5-9-16(15)27-20/h1-11,17,28H,12-13H2,(H,24,29)(H,25,30)(H,26,27)(H,31,32)