2-tert-butyl-5-(3-methylpyrazol-1-yl)sulfonyl-1-(oxan-4-ylmethyl)benzimidazole

Systemtic Name: 2-tert-butyl-5-(3-methylpyrazol-1-yl)sulfonyl-1-(oxan-4-ylmethyl)benzimidazole Openeye Name: 2-tert-butyl-5-(3-methylpyrazol-1-yl)sulfonyl-1-(tetrahydropyran-4-ylmethyl)benzimidazole CAS Name: 2-tert-butyl-5-[(3-methyl-1-pyrazolyl)sulfonyl]-1-(4-oxanylmethyl)benzimidazole IUPAC Name: 2-tert-butyl-5-(3-methylpyrazol-1-yl)sulfonyl-1-(oxan-4-ylmethyl)benzimidazole Traditional Name: 2-tert-butyl-5-(3-methylpyrazol-1-yl)sulfonyl-1-(tetrahydropyran-4-ylmethyl)benzimidazole Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=N3)C(C)(C)C)CC4CCOCC4

Isomeric SMILES

CC1=NN(C=C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=N3)C(C)(C)C)CC4CCOCC4

InChI

InChI=1S/C21H28N4O3S/c1-15-7-10-25(23-15)29(26,27)17-5-6-19-18(13-17)22-20(21(2,3)4)24(19)14-16-8-11-28-12-9-16/h5-7,10,13,16H,8-9,11-12,14H2,1-4H3