1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine

Systemtic Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine Openeye Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazine CAS Name: 1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine IUPAC Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine Traditional Name: 1-(2-nitro-4-pyrrolidinosulfonyl-phenyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazine Formula: C20H22F3N5O4S MolecularWeight: 485.47999

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H22F3N5O4S/c21-20(22,23)15-3-6-19(24-14-15)26-11-9-25(10-12-26)17-5-4-16(13-18(17)28(29)30)33(31,32)27-7-1-2-8-27/h3-6,13-14H,1-2,7-12H2