2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]-4-(methylthio)butyric acid Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC1NC2=CC=CC=C2N1CC3=CC=C(C=C3)S(=O)(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1NC2=CC=CC=C2N1CC3=CC=C(C=C3)S(=O)(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C20H25N3O4S2/c1-14-21-17-5-3-4-6-19(17)23(14)13-15-7-9-16(10-8-15)29(26,27)22-18(20(24)25)11-12-28-2/h3-10,14,18,21-22H,11-13H2,1-2H3,(H,24,25)