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

Systemtic Name: N,N-diethyl-3-nitro-4-[4-(phenylsulfonyl)piperazin-1-yl]benzenesulfonamide Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(4-besylpiperazino)-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C20H26N4O6S2 MolecularWeight: 482.57364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O6S2/c1-3-22(4-2)32(29,30)18-10-11-19(20(16-18)24(25)26)21-12-14-23(15-13-21)31(27,28)17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3