4-[4-(5-chloranyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(5-chloranyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(5-chloro-2-hydroxy-benzoyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[(5-chloro-2-hydroxyphenyl)-oxomethyl]-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(5-chloro-2-hydroxy-benzoyl)piperazino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C21H25ClN4O6S MolecularWeight: 496.9644

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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=C(C=CC(=C3)Cl)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O6S/c1-3-25(4-2)33(31,32)16-6-7-18(19(14-16)26(29)30)23-9-11-24(12-10-23)21(28)17-13-15(22)5-8-20(17)27/h5-8,13-14,27H,3-4,9-12H2,1-2H3