4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethyl-3-nitro-benzenesulfonamide CAS Name: 4-[[4-(2-chlorophenyl)-1-piperazinyl]sulfonyl]-N,N-dimethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(2-chlorophenyl)piperazino]sulfonyl-N,N-dimethyl-3-nitro-benzenesulfonamide Formula: C18H21ClN4O6S2 MolecularWeight: 488.96554

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H21ClN4O6S2/c1-20(2)30(26,27)14-7-8-18(17(13-14)23(24)25)31(28,29)22-11-9-21(10-12-22)16-6-4-3-5-15(16)19/h3-8,13H,9-12H2,1-2H3