3-[[4-[3-(1H-benzimidazol-2-ylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[4-[3-(1H-benzimidazol-2-ylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[4-[3-(1H-benzimidazol-2-ylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 3-[[4-[3-[[(1H-benzimidazol-2-ylamino)-oxomethyl]amino]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-[[4-[3-(1H-benzimidazol-2-ylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-[[4-[3-(1H-benzimidazol-2-ylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C29H25N5O5S MolecularWeight: 555.6043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC(=CC=C3)NC(=O)NC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC(=CC=C3)NC(=O)NC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C29H25N5O5S/c35-27(36)18-26(20-7-2-1-3-8-20)34-40(38,39)23-15-13-19(14-16-23)21-9-6-10-22(17-21)30-29(37)33-28-31-24-11-4-5-12-25(24)32-28/h1-17,26,34H,18H2,(H,35,36)(H3,30,31,32,33,37)