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

Systemtic Name: 2-[2-[3-[cyclopropyl(phenylsulfonyl)amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[3-[benzenesulfonyl(cyclopropyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[3-[benzenesulfonyl(cyclopropyl)amino]propylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[3-[benzenesulfonyl(cyclopropyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[3-[besyl(cyclopropyl)amino]propylthio]benzimidazol-1-yl]acetic acid Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S2/c25-20(26)15-23-19-10-5-4-9-18(19)22-21(23)29-14-6-13-24(16-11-12-16)30(27,28)17-7-2-1-3-8-17/h1-5,7-10,16H,6,11-15H2,(H,25,26)