2-[1-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]piperidin-4-yl]-1,3-benzoxazole

Systemtic Name: 2-[1-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]piperidin-4-yl]-1,3-benzoxazole Openeye Name: 2-[1-[[1-(m-tolylsulfonyl)-2-piperidyl]methyl]-4-piperidyl]-1,3-benzoxazole CAS Name: 2-[1-[[1-(3-methylphenyl)sulfonyl-2-piperidinyl]methyl]-4-piperidinyl]-1,3-benzoxazole IUPAC Name: 2-[1-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]piperidin-4-yl]-1,3-benzoxazole Traditional Name: 2-[1-[[1-(m-tolylsulfonyl)-2-piperidyl]methyl]-4-piperidyl]-1,3-benzoxazole Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2CN3CCC(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2CN3CCC(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H31N3O3S/c1-19-7-6-9-22(17-19)32(29,30)28-14-5-4-8-21(28)18-27-15-12-20(13-16-27)25-26-23-10-2-3-11-24(23)31-25/h2-3,6-7,9-11,17,20-21H,4-5,8,12-16,18H2,1H3