methyl 1-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrrole-3-carboxylate

Systemtic Name: methyl 1-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrrole-3-carboxylate Openeye Name: methyl 1-[2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrrole-3-carboxylate CAS Name: 1-[[2-tert-butyl-1-(4-oxanylmethyl)-5-benzimidazolyl]sulfonyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrrole-3-carboxylate Traditional Name: 1-[2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrrole-3-carboxylic acid methyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)N4C=CC(=C4)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)N4C=CC(=C4)C(=O)OC

InChI

InChI=1S/C23H29N3O5S/c1-23(2,3)22-24-19-13-18(32(28,29)25-10-7-17(15-25)21(27)30-4)5-6-20(19)26(22)14-16-8-11-31-12-9-16/h5-7,10,13,15-16H,8-9,11-12,14H2,1-4H3