1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-(2-methoxy-5-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-(2-methoxy-5-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(2-methoxy-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-methoxy-5-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(2-methoxy-5-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(2-methoxy-5-nitro-phenyl)sulfonyl-piperazine Formula: C17H16ClF3N4O5S MolecularWeight: 480.84595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C17H16ClF3N4O5S/c1-30-14-3-2-12(25(26)27)9-15(14)31(28,29)24-6-4-23(5-7-24)16-13(18)8-11(10-22-16)17(19,20)21/h2-3,8-10H,4-7H2,1H3