2-[2-[3-[butylsulfonyl(phenethyl)amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[3-[butylsulfonyl(phenethyl)amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[3-[butylsulfonyl(phenethyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[3-[butylsulfonyl(phenethyl)amino]propylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[3-[butylsulfonyl(phenethyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[3-[butylsulfonyl(phenethyl)amino]propylthio]benzimidazol-1-yl]acetic acid Formula: C24H31N3O4S2 MolecularWeight: 489.65064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(CCCSC1=NC2=CC=CC=C2N1CC(=O)O)CCC3=CC=CC=C3

Isomeric SMILES

CCCCS(=O)(=O)N(CCCSC1=NC2=CC=CC=C2N1CC(=O)O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O4S2/c1-2-3-18-33(30,31)26(16-14-20-10-5-4-6-11-20)15-9-17-32-24-25-21-12-7-8-13-22(21)27(24)19-23(28)29/h4-8,10-13H,2-3,9,14-19H2,1H3,(H,28,29)