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

Systemtic Name: 2-tert-butyl-5-(3-methylpiperidin-1-yl)sulfonyl-1-(oxan-4-ylmethyl)benzimidazole Openeye Name: 2-tert-butyl-5-[(3-methyl-1-piperidyl)sulfonyl]-1-(tetrahydropyran-4-ylmethyl)benzimidazole CAS Name: 2-tert-butyl-5-[(3-methyl-1-piperidinyl)sulfonyl]-1-(4-oxanylmethyl)benzimidazole IUPAC Name: 2-tert-butyl-5-(3-methylpiperidin-1-yl)sulfonyl-1-(oxan-4-ylmethyl)benzimidazole Traditional Name: 2-tert-butyl-5-(3-methylpiperidino)sulfonyl-1-(tetrahydropyran-4-ylmethyl)benzimidazole Formula: C23H35N3O3S MolecularWeight: 433.6073

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=N3)C(C)(C)C)CC4CCOCC4

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=N3)C(C)(C)C)CC4CCOCC4

InChI

InChI=1S/C23H35N3O3S/c1-17-6-5-11-25(15-17)30(27,28)19-7-8-21-20(14-19)24-22(23(2,3)4)26(21)16-18-9-12-29-13-10-18/h7-8,14,17-18H,5-6,9-13,15-16H2,1-4H3