N-(1-cyanocyclobutyl)-4,4-dimethyl-2-[[8-(methylsulfonylmethyl)-2-oxidanylidene-1,3-benzoxazin-4-yl]amino]pentanamide

Systemtic Name: N-(1-cyanocyclobutyl)-4,4-dimethyl-2-[[8-(methylsulfonylmethyl)-2-oxidanylidene-1,3-benzoxazin-4-yl]amino]pentanamide Openeye Name: N-(1-cyanocyclobutyl)-4,4-dimethyl-2-[[8-(methylsulfonylmethyl)-2-oxo-1,3-benzoxazin-4-yl]amino]pentanamide CAS Name: N-(1-cyanocyclobutyl)-4,4-dimethyl-2-[[8-(methylsulfonylmethyl)-2-oxo-1,3-benzoxazin-4-yl]amino]pentanamide IUPAC Name: N-(1-cyanocyclobutyl)-4,4-dimethyl-2-[[8-(methylsulfonylmethyl)-2-oxo-1,3-benzoxazin-4-yl]amino]pentanamide Traditional Name: N-(1-cyanocyclobutyl)-2-[[2-keto-8-(mesylmethyl)-1,3-benzoxazin-4-yl]amino]-4,4-dimethyl-valeramide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)NC1(CCC1)C#N)NC2=NC(=O)OC3=C2C=CC=C3CS(=O)(=O)C

Isomeric SMILES

CC(C)(C)CC(C(=O)NC1(CCC1)C#N)NC2=NC(=O)OC3=C2C=CC=C3CS(=O)(=O)C

InChI

InChI=1S/C22H28N4O5S/c1-21(2,3)11-16(19(27)26-22(13-23)9-6-10-22)24-18-15-8-5-7-14(12-32(4,29)30)17(15)31-20(28)25-18/h5,7-8,16H,6,9-12H2,1-4H3,(H,26,27)(H,24,25,28)