N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-(2-methyl-5-piperidinosulfonyl-phenyl)acetamide Formula: C22H24N4O7S MolecularWeight: 488.51356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O7S/c1-15-5-7-17(34(31,32)24-9-3-2-4-10-24)12-18(15)23-21(27)13-25-19-11-16(26(29)30)6-8-20(19)33-14-22(25)28/h5-8,11-12H,2-4,9-10,13-14H2,1H3,(H,23,27)