2-butyl-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfonyl-imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfonyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfonyl-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfonyl-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfonylimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfonyl-imidazole-4-carboxylic acid Formula: C23H23ClN2O7S MolecularWeight: 506.95592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H23ClN2O7S/c1-3-4-5-20-25-22(34(29,30)16-8-6-15(31-2)7-9-16)21(23(27)28)26(20)12-14-10-18-19(11-17(14)24)33-13-32-18/h6-11H,3-5,12-13H2,1-2H3,(H,27,28)