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

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(3-chloranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-chloro-4-methyl-phenyl)acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-chloro-4-methylphenyl)acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-chloro-4-methylphenyl)acetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzoxazin-4-yl]-N-(3-chloro-4-methyl-phenyl)acetamide Formula: C23H26ClN3O5S MolecularWeight: 491.98764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C23H26ClN3O5S/c1-16-6-7-17(12-19(16)24)25-22(28)14-27-20-13-18(8-9-21(20)32-15-23(27)29)33(30,31)26-10-4-2-3-5-11-26/h6-9,12-13H,2-5,10-11,14-15H2,1H3,(H,25,28)