N-(2,2-dimethylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline

Systemtic Name: N-(2,2-dimethylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline Openeye Name: N-(2,2-dimethylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline CAS Name: N-(2,2-dimethylpropyl)-5-(4-methylsulfonyl-1-piperazinyl)-2-nitroaniline IUPAC Name: N-(2,2-dimethylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline Traditional Name: [5-(4-mesylpiperazino)-2-nitro-phenyl]-neopentyl-amine Formula: C16H26N4O4S MolecularWeight: 370.46704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O4S/c1-16(2,3)12-17-14-11-13(5-6-15(14)20(21)22)18-7-9-19(10-8-18)25(4,23)24/h5-6,11,17H,7-10,12H2,1-4H3