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

Systemtic Name: ethyl 2-butyl-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfonyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfonyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfonyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfonylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfonyl-imidazole-4-carboxylic acid ethyl ester Formula: C25H27ClN2O7S MolecularWeight: 535.00908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN2O7S/c1-4-6-7-22-27-24(36(30,31)18-10-8-17(32-3)9-11-18)23(25(29)33-5-2)28(22)14-16-12-20-21(13-19(16)26)35-15-34-20/h8-13H,4-7,14-15H2,1-3H3