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

Systemtic Name: 4-[4-(2-cyclopentylethanoyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(2-cyclopentylacetyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-(2-cyclopentyl-1-oxoethyl)-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(2-cyclopentylacetyl)piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(2-cyclopentylacetyl)piperazino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C21H32N4O5S MolecularWeight: 452.56758

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H32N4O5S/c1-3-24(4-2)31(29,30)18-9-10-19(20(16-18)25(27)28)22-11-13-23(14-12-22)21(26)15-17-7-5-6-8-17/h9-10,16-17H,3-8,11-15H2,1-2H3