2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-1,3-benzoxazole

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]-1,3-benzoxazole Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H21N3O3S2/c23-27(24,22-11-5-1-2-6-12-22)15-9-10-19(20-13-15)26-14-18-21-16-7-3-4-8-17(16)25-18/h3-4,7-10,13H,1-2,5-6,11-12,14H2