6-methyl-2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-N-phenyl-pyrimidin-4-amine

Systemtic Name: 6-methyl-2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-N-phenyl-pyrimidin-4-amine Openeye Name: 6-methyl-2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-N-phenyl-pyrimidin-4-amine CAS Name: 6-methyl-2-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-N-phenyl-4-pyrimidinamine IUPAC Name: 6-methyl-2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-N-phenylpyrimidin-4-amine Traditional Name: [6-methyl-2-(4-nosylpiperazino)pyrimidin-4-yl]-phenyl-amine Formula: C21H22N6O4S MolecularWeight: 454.50218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC=C4

InChI

InChI=1S/C21H22N6O4S/c1-16-15-20(23-17-5-3-2-4-6-17)24-21(22-16)25-11-13-26(14-12-25)32(30,31)19-9-7-18(8-10-19)27(28)29/h2-10,15H,11-14H2,1H3,(H,22,23,24)