2-[2-[3-(phenylsulfonylamino)propylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[3-(phenylsulfonylamino)propylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[3-(benzenesulfonamido)propylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[3-(benzenesulfonamido)propylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[3-(benzenesulfonamido)propylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[3-(benzenesulfonamido)propylthio]benzimidazol-1-yl]acetic acid Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCCSC2=NC3=CC=CC=C3N2CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCCSC2=NC3=CC=CC=C3N2CC(=O)O

InChI

InChI=1S/C18H19N3O4S2/c22-17(23)13-21-16-10-5-4-9-15(16)20-18(21)26-12-6-11-19-27(24,25)14-7-2-1-3-8-14/h1-5,7-10,19H,6,11-13H2,(H,22,23)