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

Systemtic Name: 3-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole Openeye Name: 3-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]-5-(2-furyl)isoxazole CAS Name: 3-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]-5-(2-furanyl)isoxazole IUPAC Name: 3-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole Traditional Name: 3-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]-5-(2-furyl)isoxazole Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NOC(=C3)C4=CC=CO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NOC(=C3)C4=CC=CO4

InChI

InChI=1S/C19H21N3O4S2/c23-28(24,22-9-3-1-2-4-10-22)16-7-8-19(20-13-16)27-14-15-12-18(26-21-15)17-6-5-11-25-17/h5-8,11-13H,1-4,9-10,14H2