methyl 3-methylsulfonyl-5-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: methyl 3-methylsulfonyl-5-nitro-4-piperidin-1-yl-benzoate Openeye Name: methyl 3-methylsulfonyl-5-nitro-4-(1-piperidyl)benzoate CAS Name: 3-methylsulfonyl-5-nitro-4-(1-piperidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-5-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-mesyl-5-nitro-4-piperidino-benzoic acid methyl ester Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)S(=O)(=O)C)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)S(=O)(=O)C)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O6S/c1-22-14(17)10-8-11(16(18)19)13(12(9-10)23(2,20)21)15-6-4-3-5-7-15/h8-9H,3-7H2,1-2H3