2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]sulfanyl-1H-benzimidazole

Systemtic Name: 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]sulfanyl-1H-benzimidazole Openeye Name: 2-[[1-(p-tolylsulfonyl)-4-piperidyl]sulfanyl]-1H-benzimidazole CAS Name: 2-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]thio]-1H-benzimidazole IUPAC Name: 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]sulfanyl-1H-benzimidazole Traditional Name: 2-[(1-tosyl-4-piperidyl)thio]-1H-benzimidazole Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H21N3O2S2/c1-14-6-8-16(9-7-14)26(23,24)22-12-10-15(11-13-22)25-19-20-17-4-2-3-5-18(17)21-19/h2-9,15H,10-13H2,1H3,(H,20,21)