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

Systemtic Name: 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)-2-nitro-aniline Openeye Name: 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-isobutyl-2-nitro-aniline CAS Name: 5-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazinyl]-N-(2-methylpropyl)-2-nitroaniline IUPAC Name: 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)-2-nitroaniline Traditional Name: [5-[4-(3,4-dichlorophenyl)sulfonylpiperazino]-2-nitro-phenyl]-isobutyl-amine Formula: C20H24Cl2N4O4S MolecularWeight: 487.39996

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H24Cl2N4O4S/c1-14(2)13-23-19-11-15(3-6-20(19)26(27)28)24-7-9-25(10-8-24)31(29,30)16-4-5-17(21)18(22)12-16/h3-6,11-12,14,23H,7-10,13H2,1-2H3