3-[[3-[3-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[3-[3-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[3-[3-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 3-[[3-[3-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-[[3-[3-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-[[3-[3-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C30H28N4O4S MolecularWeight: 540.63272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=CC(=C2)C3=CC(=CC=C3)CNCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=CC(=C2)C3=CC(=CC=C3)CNCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C30H28N4O4S/c35-30(36)18-28(22-9-2-1-3-10-22)34-39(37,38)25-13-7-12-24(17-25)23-11-6-8-21(16-23)19-31-20-29-32-26-14-4-5-15-27(26)33-29/h1-17,28,31,34H,18-20H2,(H,32,33)(H,35,36)