2-[1-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

Systemtic Name: 2-[1-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole Openeye Name: 2-[1-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonyl-4-piperidyl]-1H-benzimidazole CAS Name: 2-[1-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-4-piperidinyl]-1H-benzimidazole IUPAC Name: 2-[1-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole Traditional Name: 2-[1-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonyl-4-piperidyl]-1H-benzimidazole Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3)C)C(C)(C)C

InChI

InChI=1S/C24H31N3O2S/c1-16-14-19(24(3,4)5)15-17(2)22(16)30(28,29)27-12-10-18(11-13-27)23-25-20-8-6-7-9-21(20)26-23/h6-9,14-15,18H,10-13H2,1-5H3,(H,25,26)