5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2,2-dimethylpropyl)-2-nitro-aniline

Systemtic Name: 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2,2-dimethylpropyl)-2-nitro-aniline Openeye Name: 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2,2-dimethylpropyl)-2-nitro-aniline CAS Name: 5-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazinyl]-N-(2,2-dimethylpropyl)-2-nitroaniline IUPAC Name: 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2,2-dimethylpropyl)-2-nitroaniline Traditional Name: [5-[4-(3,4-dichlorophenyl)sulfonylpiperazino]-2-nitro-phenyl]-neopentyl-amine Formula: C21H26Cl2N4O4S MolecularWeight: 501.42654

Click to see the large picture

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)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)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H26Cl2N4O4S/c1-21(2,3)14-24-19-12-15(4-7-20(19)27(28)29)25-8-10-26(11-9-25)32(30,31)16-5-6-17(22)18(23)13-16/h4-7,12-13,24H,8-11,14H2,1-3H3