N,N-diethyl-4-[4-(1H-indazol-7-ylcarbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[4-(1H-indazol-7-ylcarbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-[1H-indazol-7-yl(oxo)methyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(1H-indazole-7-carbonyl)piperazino]-3-nitro-benzenesulfonamide Formula: C22H26N6O5S MolecularWeight: 486.54404

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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=CC=CC4=C3NN=C4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC4=C3NN=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O5S/c1-3-27(4-2)34(32,33)17-8-9-19(20(14-17)28(30)31)25-10-12-26(13-11-25)22(29)18-7-5-6-16-15-23-24-21(16)18/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,23,24)