[(Z)-5-azanyl-4-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-5-methoxy-pent-4-enyl] nitrate

Systemtic Name: [(Z)-5-azanyl-4-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-5-methoxy-pent-4-enyl] nitrate Openeye Name: [(Z)-5-amino-4-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-5-methoxy-pent-4-enyl] nitrate CAS Name: nitric acid [(Z)-5-amino-4-[1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-pyrazolyl]-5-methoxypent-4-enyl] ester IUPAC Name: [(Z)-5-amino-4-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-5-methoxypent-4-enyl] nitrate Traditional Name: nitric acid [(Z)-5-amino-4-[1-cyclohexyl-5-(4-mesylphenyl)pyrazol-3-yl]-5-methoxy-pent-4-enyl] ester Formula: C22H30N4O6S MolecularWeight: 478.5618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C(CCCO[N+](=O)[O-])C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3CCCCC3)N

Isomeric SMILES

CO/C(=C(/CCCO[N+](=O)[O-])\C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3CCCCC3)/N

InChI

InChI=1S/C22H30N4O6S/c1-31-22(23)19(9-6-14-32-26(27)28)20-15-21(25(24-20)17-7-4-3-5-8-17)16-10-12-18(13-11-16)33(2,29)30/h10-13,15,17H,3-9,14,23H2,1-2H3/b22-19-