2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-6-methyl-1H-benzimidazole

Systemtic Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-6-methyl-1H-benzimidazole Openeye Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidyl]-6-methyl-1H-benzimidazole CAS Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-6-methyl-1H-benzimidazole IUPAC Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-6-methyl-1H-benzimidazole Traditional Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidyl]-6-methyl-1H-benzimidazole Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H23N3O4S/c1-14-2-4-17-18(12-14)23-21(22-17)15-6-8-24(9-7-15)29(25,26)16-3-5-19-20(13-16)28-11-10-27-19/h2-5,12-13,15H,6-11H2,1H3,(H,22,23)