4-[4-(2H-benzotriazol-5-ylcarbonyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(2H-benzotriazol-5-ylcarbonyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[2H-benzotriazol-5-yl(oxo)methyl]-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(2H-benzotriazole-5-carbonyl)piperazino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C21H25N7O5S MolecularWeight: 487.5321

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=NNN=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=NNN=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N7O5S/c1-3-27(4-2)34(32,33)16-6-8-19(20(14-16)28(30)31)25-9-11-26(12-10-25)21(29)15-5-7-17-18(13-15)23-24-22-17/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,22,23,24)