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

Systemtic Name: 2-[2-[3-[phenethyl(phenylsulfonyl)amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[3-[benzenesulfonyl(phenethyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[3-[benzenesulfonyl(phenethyl)amino]propylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[3-[benzenesulfonyl(phenethyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[3-[besyl(phenethyl)amino]propylthio]benzimidazol-1-yl]acetic acid Formula: C26H27N3O4S2 MolecularWeight: 509.64028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCCSC2=NC3=CC=CC=C3N2CC(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCCSC2=NC3=CC=CC=C3N2CC(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4S2/c30-25(31)20-29-24-15-8-7-14-23(24)27-26(29)34-19-9-17-28(18-16-21-10-3-1-4-11-21)35(32,33)22-12-5-2-6-13-22/h1-8,10-15H,9,16-20H2,(H,30,31)