5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,2-dimethylpropyl)-2-nitro-aniline

Systemtic Name: 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,2-dimethylpropyl)-2-nitro-aniline Openeye Name: 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,2-dimethylpropyl)-2-nitro-aniline CAS Name: 5-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-(2,2-dimethylpropyl)-2-nitroaniline IUPAC Name: 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,2-dimethylpropyl)-2-nitroaniline Traditional Name: [5-[4-(4-chlorophenyl)sulfonylpiperazino]-2-nitro-phenyl]-neopentyl-amine Formula: C21H27ClN4O4S MolecularWeight: 466.98148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H27ClN4O4S/c1-21(2,3)15-23-19-14-17(6-9-20(19)26(27)28)24-10-12-25(13-11-24)31(29,30)18-7-4-16(22)5-8-18/h4-9,14,23H,10-13,15H2,1-3H3