3-methyl-1-[3-nitro-4-[3-(trifluoromethyl)piperidin-1-yl]phenyl]sulfonyl-piperidine

Systemtic Name: 3-methyl-1-[3-nitro-4-[3-(trifluoromethyl)piperidin-1-yl]phenyl]sulfonyl-piperidine Openeye Name: 3-methyl-1-[3-nitro-4-[3-(trifluoromethyl)-1-piperidyl]phenyl]sulfonyl-piperidine CAS Name: 3-methyl-1-[3-nitro-4-[3-(trifluoromethyl)-1-piperidinyl]phenyl]sulfonylpiperidine IUPAC Name: 3-methyl-1-[3-nitro-4-[3-(trifluoromethyl)piperidin-1-yl]phenyl]sulfonylpiperidine Traditional Name: 3-methyl-1-[3-nitro-4-[3-(trifluoromethyl)piperidino]phenyl]sulfonyl-piperidine Formula: C18H24F3N3O4S MolecularWeight: 435.46107

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H24F3N3O4S/c1-13-4-2-9-23(11-13)29(27,28)15-6-7-16(17(10-15)24(25)26)22-8-3-5-14(12-22)18(19,20)21/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3