methyl 2-[4-(4-nitrophenoxy)piperidin-1-yl]sulfonylethanoate

Systemtic Name: methyl 2-[4-(4-nitrophenoxy)piperidin-1-yl]sulfonylethanoate Openeye Name: methyl 2-[[4-(4-nitrophenoxy)-1-piperidyl]sulfonyl]acetate CAS Name: 2-[[4-(4-nitrophenoxy)-1-piperidinyl]sulfonyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-nitrophenoxy)piperidin-1-yl]sulfonylacetate Traditional Name: 2-[4-(4-nitrophenoxy)piperidino]sulfonylacetic acid methyl ester Formula: C14H18N2O7S MolecularWeight: 358.36692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CS(=O)(=O)N1CCC(CC1)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CS(=O)(=O)N1CCC(CC1)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O7S/c1-22-14(17)10-24(20,21)15-8-6-13(7-9-15)23-12-4-2-11(3-5-12)16(18)19/h2-5,13H,6-10H2,1H3