4-[4-(2-cyclohexylethanoyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(2-cyclohexylethanoyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-(2-cyclohexyl-1-oxoethyl)-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(2-cyclohexylacetyl)piperazino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C22H34N4O5S MolecularWeight: 466.59416

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H34N4O5S/c1-3-25(4-2)32(30,31)19-10-11-20(21(17-19)26(28)29)23-12-14-24(15-13-23)22(27)16-18-8-6-5-7-9-18/h10-11,17-18H,3-9,12-16H2,1-2H3