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

Systemtic Name: N-(2,2-dimethylpropyl)-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline Openeye Name: N-(2,2-dimethylpropyl)-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline CAS Name: N-(2,2-dimethylpropyl)-5-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-nitroaniline IUPAC Name: N-(2,2-dimethylpropyl)-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: [5-[4-(4-methoxyphenyl)sulfonylpiperazino]-2-nitro-phenyl]-neopentyl-amine Formula: C22H30N4O5S MolecularWeight: 462.5624

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O5S/c1-22(2,3)16-23-20-15-17(5-10-21(20)26(27)28)24-11-13-25(14-12-24)32(29,30)19-8-6-18(31-4)7-9-19/h5-10,15,23H,11-14,16H2,1-4H3