3-nitro-4-(3-oxidanylidenepiperazin-1-yl)-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 3-nitro-4-(3-oxidanylidenepiperazin-1-yl)-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-(3-oxopiperazin-1-yl)benzenesulfonamide CAS Name: 3-nitro-4-(3-oxo-1-piperazinyl)-N-propan-2-ylbenzenesulfonamide IUPAC Name: 3-nitro-4-(3-oxopiperazin-1-yl)-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-(3-ketopiperazino)-3-nitro-benzenesulfonamide Formula: C13H18N4O5S MolecularWeight: 342.37082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O5S/c1-9(2)15-23(21,22)10-3-4-11(12(7-10)17(19)20)16-6-5-14-13(18)8-16/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,14,18)