[(3S,4R)-3-azido-4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-piperidin-4-yl] nitrate

Systemtic Name: [(3S,4R)-3-azido-4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-piperidin-4-yl] nitrate Openeye Name: [(3S,4R)-3-azido-4-(4-fluorophenyl)-1-(p-tolylsulfonyl)-4-piperidyl] nitrate CAS Name: nitric acid [(3S,4R)-3-azido-4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-4-piperidinyl] ester IUPAC Name: [(3S,4R)-3-azido-4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl] nitrate Traditional Name: nitric acid [(3S,4R)-3-azido-4-(4-fluorophenyl)-1-tosyl-4-piperidyl] ester Formula: C18H18FN5O5S MolecularWeight: 435.429423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C(C2)N=[N+]=[N-])(C3=CC=C(C=C3)F)O[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@]([C@H](C2)N=[N+]=[N-])(C3=CC=C(C=C3)F)O[N+](=O)[O-]

InChI

InChI=1S/C18H18FN5O5S/c1-13-2-8-16(9-3-13)30(27,28)23-11-10-18(29-24(25)26,17(12-23)21-22-20)14-4-6-15(19)7-5-14/h2-9,17H,10-12H2,1H3/t17-,18+/m0/s1