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

Systemtic Name: 4-(4-cyclopentylcarbonylpiperazin-1-yl)-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(cyclopentanecarbonyl)piperazino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C20H30N4O5S MolecularWeight: 438.541

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H30N4O5S/c1-3-23(4-2)30(28,29)17-9-10-18(19(15-17)24(26)27)21-11-13-22(14-12-21)20(25)16-7-5-6-8-16/h9-10,15-16H,3-8,11-14H2,1-2H3