1-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]cyclohexanecarboxylic acid CAS Name: 1-[[4-[(2-methyl-1-benzimidazolyl)methyl]phenyl]sulfonylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]cyclohexanecarboxylic acid Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)S(=O)(=O)NC4(CCCCC4)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)S(=O)(=O)NC4(CCCCC4)C(=O)O

InChI

InChI=1S/C22H25N3O4S/c1-16-23-19-7-3-4-8-20(19)25(16)15-17-9-11-18(12-10-17)30(28,29)24-22(21(26)27)13-5-2-6-14-22/h3-4,7-12,24H,2,5-6,13-15H2,1H3,(H,26,27)