1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-[(2,5-dimethyl-3-thienyl)sulfonyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine CAS Name: 1-[(2,5-dimethyl-3-thiophenyl)sulfonyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-[(2,5-dimethyl-3-thienyl)sulfonyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Formula: C17H18F3N3O4S2 MolecularWeight: 449.46773

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)C)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H18F3N3O4S2/c1-11-9-16(12(2)28-11)29(26,27)22-7-5-21(6-8-22)14-4-3-13(17(18,19)20)10-15(14)23(24)25/h3-4,9-10H,5-8H2,1-2H3