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

Systemtic Name: [(3S,4R)-4-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3-nitrooxy-piperidin-4-yl] nitrate Openeye Name: [(3S,4R)-4-(4-chlorophenyl)-3-nitrooxy-1-(p-tolylsulfonyl)-4-piperidyl] nitrate CAS Name: nitric acid [(3S,4R)-4-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3-nitrooxy-4-piperidinyl] ester IUPAC Name: [(3S,4R)-4-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3-nitrooxypiperidin-4-yl] nitrate Traditional Name: nitric acid [(3S,4R)-4-(4-chlorophenyl)-3-nitrooxy-1-tosyl-4-piperidyl] ester Formula: C18H18ClN3O8S MolecularWeight: 471.86882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O8S/c1-13-2-8-16(9-3-13)31(27,28)20-11-10-18(30-22(25)26,17(12-20)29-21(23)24)14-4-6-15(19)7-5-14/h2-9,17H,10-12H2,1H3/t17-,18+/m0/s1