2-[2-[3-[cyclopropyl-(phenylmethyl)sulfonyl-amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[3-[cyclopropyl-(phenylmethyl)sulfonyl-amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[3-[benzylsulfonyl(cyclopropyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[3-[cyclopropyl-(phenylmethyl)sulfonylamino]propylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[3-[benzylsulfonyl(cyclopropyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[3-[benzylsulfonyl(cyclopropyl)amino]propylthio]benzimidazol-1-yl]acetic acid Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CCCSC2=NC3=CC=CC=C3N2CC(=O)O)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CC1N(CCCSC2=NC3=CC=CC=C3N2CC(=O)O)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4S2/c26-21(27)15-24-20-10-5-4-9-19(20)23-22(24)30-14-6-13-25(18-11-12-18)31(28,29)16-17-7-2-1-3-8-17/h1-5,7-10,18H,6,11-16H2,(H,26,27)