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

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-[(3,5-dimethyl-1-piperidyl)sulfonyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine CAS Name: 1-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-(3,5-dimethylpiperidino)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Formula: C18H25F3N4O4S MolecularWeight: 450.47571

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C18H25F3N4O4S/c1-13-9-14(2)12-24(11-13)30(28,29)23-7-5-22(6-8-23)16-4-3-15(18(19,20)21)10-17(16)25(26)27/h3-4,10,13-14H,5-9,11-12H2,1-2H3