N,N-diethyl-3-nitro-4-[4-(oxan-4-ylcarbonyl)piperazin-1-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[4-(oxan-4-ylcarbonyl)piperazin-1-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[4-(tetrahydropyran-4-carbonyl)piperazin-1-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[4-[4-oxanyl(oxo)methyl]-1-piperazinyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[4-(oxane-4-carbonyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[4-(tetrahydropyran-4-carbonyl)piperazino]benzenesulfonamide Formula: C20H30N4O6S MolecularWeight: 454.5404

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H30N4O6S/c1-3-23(4-2)31(28,29)17-5-6-18(19(15-17)24(26)27)21-9-11-22(12-10-21)20(25)16-7-13-30-14-8-16/h5-6,15-16H,3-4,7-14H2,1-2H3