2-azanyl-3-[6-(1H-benzimidazol-2-ylsulfonylmethyl)pyridin-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[6-(1H-benzimidazol-2-ylsulfonylmethyl)pyridin-2-yl]propanoic acid Openeye Name: 2-amino-3-[6-(1H-benzimidazol-2-ylsulfonylmethyl)-2-pyridyl]propanoic acid CAS Name: 2-amino-3-[6-(1H-benzimidazol-2-ylsulfonylmethyl)-2-pyridinyl]propanoic acid IUPAC Name: 2-amino-3-[6-(1H-benzimidazol-2-ylsulfonylmethyl)pyridin-2-yl]propanoic acid Traditional Name: 2-amino-3-[6-(1H-benzimidazol-2-ylsulfonylmethyl)-2-pyridyl]propionic acid Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)S(=O)(=O)CC3=CC=CC(=N3)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)S(=O)(=O)CC3=CC=CC(=N3)CC(C(=O)O)N

InChI

InChI=1S/C16H16N4O4S/c17-12(15(21)22)8-10-4-3-5-11(18-10)9-25(23,24)16-19-13-6-1-2-7-14(13)20-16/h1-7,12H,8-9,17H2,(H,19,20)(H,21,22)