N-tert-butyl-3-nitro-4-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]benzenesulfonamide Traditional Name: N-tert-butyl-4-[(3-keto-4H-1,4-benzoxazin-6-yl)amino]-3-nitro-benzenesulfonamide Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)OCC(=O)N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)OCC(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S/c1-18(2,3)21-29(26,27)12-5-6-13(15(9-12)22(24)25)19-11-4-7-16-14(8-11)20-17(23)10-28-16/h4-9,19,21H,10H2,1-3H3,(H,20,23)