2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine

Systemtic Name: 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine Openeye Name: 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine CAS Name: 2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-4-(trifluoromethyl)pyrimidine IUPAC Name: 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine Traditional Name: 2-[4-(3-nitrophenyl)sulfonylpiperazino]-4-(trifluoromethyl)pyrimidine Formula: C15H14F3N5O4S MolecularWeight: 417.36297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=N2)C(F)(F)F)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=N2)C(F)(F)F)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H14F3N5O4S/c16-15(17,18)13-4-5-19-14(20-13)21-6-8-22(9-7-21)28(26,27)12-3-1-2-11(10-12)23(24)25/h1-5,10H,6-9H2