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

Systemtic Name: 3-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]-5-phenyl-isoxazole CAS Name: 3-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]-5-phenylisoxazole IUPAC Name: 3-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole Traditional Name: 3-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]-5-phenyl-isoxazole Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c25-29(26,24-12-6-1-2-7-13-24)19-10-11-21(22-15-19)28-16-18-14-20(27-23-18)17-8-4-3-5-9-17/h3-5,8-11,14-15H,1-2,6-7,12-13,16H2