2-(7-propylsulfonylbenzimidazol-1-yl)ethanoic acid

Systemtic Name: 2-(7-propylsulfonylbenzimidazol-1-yl)ethanoic acid Openeye Name: 2-(7-propylsulfonylbenzimidazol-1-yl)acetic acid CAS Name: 2-(7-propylsulfonyl-1-benzimidazolyl)acetic acid IUPAC Name: 2-(7-propylsulfonylbenzimidazol-1-yl)acetic acid Traditional Name: 2-(7-propylsulfonylbenzimidazol-1-yl)acetic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=CC2=C1N(C=N2)CC(=O)O

Isomeric SMILES

CCCS(=O)(=O)C1=CC=CC2=C1N(C=N2)CC(=O)O

InChI

InChI=1S/C12H14N2O4S/c1-2-6-19(17,18)10-5-3-4-9-12(10)14(8-13-9)7-11(15)16/h3-5,8H,2,6-7H2,1H3,(H,15,16)