2-tert-butyl-1-(oxan-4-ylmethyl)-5-pyrrol-1-ylsulfonyl-benzimidazole

Systemtic Name: 2-tert-butyl-1-(oxan-4-ylmethyl)-5-pyrrol-1-ylsulfonyl-benzimidazole Openeye Name: 2-tert-butyl-5-pyrrol-1-ylsulfonyl-1-(tetrahydropyran-4-ylmethyl)benzimidazole CAS Name: 2-tert-butyl-1-(4-oxanylmethyl)-5-(1-pyrrolylsulfonyl)benzimidazole IUPAC Name: 2-tert-butyl-1-(oxan-4-ylmethyl)-5-pyrrol-1-ylsulfonylbenzimidazole Traditional Name: 2-tert-butyl-5-pyrrol-1-ylsulfonyl-1-(tetrahydropyran-4-ylmethyl)benzimidazole Formula: C21H27N3O3S MolecularWeight: 401.52238

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-21(2,3)20-22-18-14-17(28(25,26)23-10-4-5-11-23)6-7-19(18)24(20)15-16-8-12-27-13-9-16/h4-7,10-11,14,16H,8-9,12-13,15H2,1-3H3