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

Systemtic Name: 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-(3-piperidinosulfonylphenyl)acetamide Formula: C21H22N4O7S MolecularWeight: 474.48698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O7S/c26-20(13-24-18-12-16(25(28)29)7-8-19(18)32-14-21(24)27)22-15-5-4-6-17(11-15)33(30,31)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10,13-14H2,(H,22,26)