2-[2-azanyl-1-(phenylsulfonyl)benzimidazol-5-yl]propanoic acid

Systemtic Name: 2-[2-azanyl-1-(phenylsulfonyl)benzimidazol-5-yl]propanoic acid Openeye Name: 2-[2-amino-1-(benzenesulfonyl)benzimidazol-5-yl]propanoic acid CAS Name: 2-[2-amino-1-(benzenesulfonyl)-5-benzimidazolyl]propanoic acid IUPAC Name: 2-[2-amino-1-(benzenesulfonyl)benzimidazol-5-yl]propanoic acid Traditional Name: 2-(2-amino-1-besyl-benzimidazol-5-yl)propionic acid Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)N(C(=N2)N)S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)N(C(=N2)N)S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H15N3O4S/c1-10(15(20)21)11-7-8-14-13(9-11)18-16(17)19(14)24(22,23)12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,18)(H,20,21)