1-(2-methoxy-4-nitro-phenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine Openeye Name: 1-(2-methoxy-4-nitro-phenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]piperazine CAS Name: 1-(2-methoxy-4-nitrophenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine IUPAC Name: 1-(2-methoxy-4-nitrophenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine Traditional Name: 1-(2-methoxy-4-nitro-phenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]piperazine Formula: C17H17F3N4O5S MolecularWeight: 446.40089

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H17F3N4O5S/c1-29-14-10-13(24(25)26)3-4-15(14)30(27,28)23-8-6-22(7-9-23)16-5-2-12(11-21-16)17(18,19)20/h2-5,10-11H,6-9H2,1H3