N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetamide Formula: C21H29N3O5S2 MolecularWeight: 467.60206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H29N3O5S2/c1-15-18(16(2)29-23-15)13-30-14-21(25)22-19-12-17(8-9-20(19)28-3)31(26,27)24-10-6-4-5-7-11-24/h8-9,12H,4-7,10-11,13-14H2,1-3H3,(H,22,25)