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

Systemtic Name: 2-tert-butyl-1-(oxan-4-ylmethyl)-5-(3-phenylpiperidin-1-yl)sulfonyl-benzimidazole Openeye Name: 2-tert-butyl-5-[(3-phenyl-1-piperidyl)sulfonyl]-1-(tetrahydropyran-4-ylmethyl)benzimidazole CAS Name: 2-tert-butyl-1-(4-oxanylmethyl)-5-[(3-phenyl-1-piperidinyl)sulfonyl]benzimidazole IUPAC Name: 2-tert-butyl-1-(oxan-4-ylmethyl)-5-(3-phenylpiperidin-1-yl)sulfonylbenzimidazole Traditional Name: 2-tert-butyl-5-(3-phenylpiperidino)sulfonyl-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)N4CCCC(C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)N4CCCC(C4)C5=CC=CC=C5

InChI

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