2-tert-butyl-1-(oxan-4-ylmethyl)-5-[3-(phenylmethyl)pyrrolidin-1-yl]sulfonyl-benzimidazole

Systemtic Name: 2-tert-butyl-1-(oxan-4-ylmethyl)-5-[3-(phenylmethyl)pyrrolidin-1-yl]sulfonyl-benzimidazole Openeye Name: 5-(3-benzylpyrrolidin-1-yl)sulfonyl-2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)benzimidazole CAS Name: 2-tert-butyl-1-(4-oxanylmethyl)-5-[[3-(phenylmethyl)-1-pyrrolidinyl]sulfonyl]benzimidazole IUPAC Name: 5-(3-benzylpyrrolidin-1-yl)sulfonyl-2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazole Traditional Name: 5-(3-benzylpyrrolidino)sulfonyl-2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)benzimidazole Formula: C28H37N3O3S MolecularWeight: 495.67668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)N4CCC(C4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)N4CCC(C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H37N3O3S/c1-28(2,3)27-29-25-18-24(9-10-26(25)31(27)20-22-12-15-34-16-13-22)35(32,33)30-14-11-23(19-30)17-21-7-5-4-6-8-21/h4-10,18,22-23H,11-17,19-20H2,1-3H3