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

Systemtic Name: N-(2,2-dimethylpropyl)-2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]aniline Openeye Name: N-(2,2-dimethylpropyl)-2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]aniline CAS Name: N-(2,2-dimethylpropyl)-2-nitro-5-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]aniline IUPAC Name: N-(2,2-dimethylpropyl)-2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]aniline Traditional Name: neopentyl-[2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazino]phenyl]amine Formula: C21H27N5O6S MolecularWeight: 477.53398

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=CC=C3[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O6S/c1-21(2,3)15-22-17-14-16(8-9-18(17)25(27)28)23-10-12-24(13-11-23)33(31,32)20-7-5-4-6-19(20)26(29)30/h4-9,14,22H,10-13,15H2,1-3H3