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

Systemtic Name: 4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(3,3-dimethylbutanoyl)piperazino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C20H32N4O5S MolecularWeight: 440.55688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O5S/c1-6-23(7-2)30(28,29)16-8-9-17(18(14-16)24(26)27)21-10-12-22(13-11-21)19(25)15-20(3,4)5/h8-9,14H,6-7,10-13,15H2,1-5H3