[1-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]piperidin-3-yl]methyl nitrate

Systemtic Name: [1-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]piperidin-3-yl]methyl nitrate Openeye Name: [1-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]-3-piperidyl]methyl nitrate CAS Name: nitric acid [1-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]-3-piperidinyl]methyl ester IUPAC Name: [1-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]piperidin-3-yl]methyl nitrate Traditional Name: nitric acid [1-[[6-(4-mesylphenyl)-1,3-benzodioxol-5-yl]methyl]-3-piperidyl]methyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2CN4CCCC(C4)CO[N+](=O)[O-])OCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2CN4CCCC(C4)CO[N+](=O)[O-])OCO3

InChI

InChI=1S/C21H24N2O7S/c1-31(26,27)18-6-4-16(5-7-18)19-10-21-20(28-14-29-21)9-17(19)12-22-8-2-3-15(11-22)13-30-23(24)25/h4-7,9-10,15H,2-3,8,11-14H2,1H3