N-(1-methylsulfonylpiperidin-4-yl)-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-(1-methylsulfonylpiperidin-4-yl)-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-(1-methylsulfonyl-4-piperidyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-(1-methylsulfonyl-4-piperidinyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-(1-methylsulfonylpiperidin-4-yl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-(1-mesyl-4-piperidyl)acetamide Formula: C16H20N4O7S MolecularWeight: 412.4176

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O7S/c1-28(25,26)18-6-4-11(5-7-18)17-15(21)9-19-13-8-12(20(23)24)2-3-14(13)27-10-16(19)22/h2-3,8,11H,4-7,9-10H2,1H3,(H,17,21)