1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-(4-fluorophenyl)sulfonyl-piperazine

Systemtic Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-(4-fluorophenyl)sulfonyl-piperazine Openeye Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-(4-fluorophenyl)sulfonyl-piperazine CAS Name: 1-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-4-(4-fluorophenyl)sulfonylpiperazine IUPAC Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]-4-(4-fluorophenyl)sulfonylpiperazine Traditional Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-(4-fluorophenyl)sulfonyl-piperazine Formula: C21H22FN5O4S MolecularWeight: 459.493883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)[N+](=O)[O-])C

InChI

InChI=1S/C21H22FN5O4S/c1-15-13-16(2)26(23-15)21-14-18(5-8-20(21)27(28)29)24-9-11-25(12-10-24)32(30,31)19-6-3-17(22)4-7-19/h3-8,13-14H,9-12H2,1-2H3