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

Systemtic Name: 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(4-chlorobenzyl)piperazino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C21H27ClN4O4S MolecularWeight: 466.98148

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H27ClN4O4S/c1-3-25(4-2)31(29,30)19-9-10-20(21(15-19)26(27)28)24-13-11-23(12-14-24)16-17-5-7-18(22)8-6-17/h5-10,15H,3-4,11-14,16H2,1-2H3