4-[5-[2-nitro-4-(piperidin-1-ylmethyl)phenoxy]pentylsulfanyl]-7-(trifluoromethyl)quinoline

Systemtic Name: 4-[5-[2-nitro-4-(piperidin-1-ylmethyl)phenoxy]pentylsulfanyl]-7-(trifluoromethyl)quinoline Openeye Name: 4-[5-[2-nitro-4-(1-piperidylmethyl)phenoxy]pentylsulfanyl]-7-(trifluoromethyl)quinoline CAS Name: 4-[5-[2-nitro-4-(1-piperidinylmethyl)phenoxy]pentylthio]-7-(trifluoromethyl)quinoline IUPAC Name: 4-[5-[2-nitro-4-(piperidin-1-ylmethyl)phenoxy]pentylsulfanyl]-7-(trifluoromethyl)quinoline Traditional Name: 4-[5-[2-nitro-4-(piperidinomethyl)phenoxy]pentylthio]-7-(trifluoromethyl)quinoline Formula: C27H30F3N3O3S MolecularWeight: 533.60561

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=C(C=C2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC2=CC(=C(C=C2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C27H30F3N3O3S/c28-27(29,30)21-8-9-22-23(18-21)31-12-11-26(22)37-16-6-2-5-15-36-25-10-7-20(17-24(25)33(34)35)19-32-13-3-1-4-14-32/h7-12,17-18H,1-6,13-16,19H2