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

Systemtic Name: 3-[[3-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[3-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 3-[[3-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-[[3-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-[[3-[4-[(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=C(C=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=C(C=C3)CNCC4=NC5=CC=CC=C5N4

InChI

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