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

Systemtic Name: 2-tert-butyl-1-(oxan-4-ylmethyl)-5-(3-phenylpyrrolidin-1-yl)sulfonyl-benzimidazole Openeye Name: 2-tert-butyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-1-(tetrahydropyran-4-ylmethyl)benzimidazole CAS Name: 2-tert-butyl-1-(4-oxanylmethyl)-5-[(3-phenyl-1-pyrrolidinyl)sulfonyl]benzimidazole IUPAC Name: 2-tert-butyl-1-(oxan-4-ylmethyl)-5-(3-phenylpyrrolidin-1-yl)sulfonylbenzimidazole Traditional Name: 2-tert-butyl-5-(3-phenylpyrrolidino)sulfonyl-1-(tetrahydropyran-4-ylmethyl)benzimidazole Formula: C27H35N3O3S MolecularWeight: 481.6501

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O3S/c1-27(2,3)26-28-24-17-23(9-10-25(24)30(26)18-20-12-15-33-16-13-20)34(31,32)29-14-11-22(19-29)21-7-5-4-6-8-21/h4-10,17,20,22H,11-16,18-19H2,1-3H3