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

Systemtic Name: 2-[2-[3-[(phenylmethyl)sulfonylamino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[3-(benzylsulfonylamino)propylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[3-[(phenylmethyl)sulfonylamino]propylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[3-(benzylsulfonylamino)propylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[3-(benzylsulfonylamino)propylthio]benzimidazol-1-yl]acetic acid Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S2/c23-18(24)13-22-17-10-5-4-9-16(17)21-19(22)27-12-6-11-20-28(25,26)14-15-7-2-1-3-8-15/h1-5,7-10,20H,6,11-14H2,(H,23,24)