N,N-diethyl-4-(4-hexanoylpiperazin-1-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-(4-hexanoylpiperazin-1-yl)-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-(4-hexanoylpiperazin-1-yl)-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[4-(1-oxohexyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-(4-hexanoylpiperazin-1-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-(4-caproylpiperazino)-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C20H32N4O5S MolecularWeight: 440.55688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)[N+](=O)[O-]

InChI

InChI=1S/C20H32N4O5S/c1-4-7-8-9-20(25)22-14-12-21(13-15-22)18-11-10-17(16-19(18)24(26)27)30(28,29)23(5-2)6-3/h10-11,16H,4-9,12-15H2,1-3H3