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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C20H25ClN4O4S MolecularWeight: 452.9549

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H25ClN4O4S/c1-3-24(4-2)30(28,29)18-8-9-19(20(15-18)25(26)27)23-12-10-22(11-13-23)17-7-5-6-16(21)14-17/h5-9,14-15H,3-4,10-13H2,1-2H3