N-tert-butyl-3-nitro-4-(3-oxidanylidenepiperazin-1-yl)benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-(3-oxidanylidenepiperazin-1-yl)benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-(3-oxopiperazin-1-yl)benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-(3-oxo-1-piperazinyl)benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-(3-oxopiperazin-1-yl)benzenesulfonamide Traditional Name: N-tert-butyl-4-(3-ketopiperazino)-3-nitro-benzenesulfonamide Formula: C14H20N4O5S MolecularWeight: 356.3974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCNC(=O)C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCNC(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O5S/c1-14(2,3)16-24(22,23)10-4-5-11(12(8-10)18(20)21)17-7-6-15-13(19)9-17/h4-5,8,16H,6-7,9H2,1-3H3,(H,15,19)