2-[6-(azepan-1-ylsulfonyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]-N-(3-chloranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]-N-(3-chloranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-chloro-4-methyl-phenyl)acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-chloro-4-methylphenyl)acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-chloro-4-methylphenyl)acetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-2-keto-1,3-benzoxazol-3-yl]-N-(3-chloro-4-methyl-phenyl)acetamide Formula: C22H24ClN3O5S MolecularWeight: 477.96106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)OC2=O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)OC2=O)Cl

InChI

InChI=1S/C22H24ClN3O5S/c1-15-6-7-16(12-18(15)23)24-21(27)14-26-19-9-8-17(13-20(19)31-22(26)28)32(29,30)25-10-4-2-3-5-11-25/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,24,27)