2-azanyl-3-[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]propanoic acid CAS Name: 2-amino-3-[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]propionic acid Formula: C17H17N3O4S MolecularWeight: 359.39958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)S(=O)(=O)CC3=CC=CC(=C3)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)S(=O)(=O)CC3=CC=CC(=C3)CC(C(=O)O)N

InChI

InChI=1S/C17H17N3O4S/c18-13(16(21)22)9-11-4-3-5-12(8-11)10-25(23,24)17-19-14-6-1-2-7-15(14)20-17/h1-8,13H,9-10,18H2,(H,19,20)(H,21,22)