4-[(3S)-3-ethoxycarbonylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: 4-[(3S)-3-ethoxycarbonylpiperidin-1-yl]sulfonylbenzoate Openeye Name: 4-[[(3S)-3-ethoxycarbonyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3S)-3-ethoxycarbonyl-1-piperidinyl]sulfonyl]benzoate IUPAC Name: 4-[(3S)-3-ethoxycarbonylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3S)-3-carbethoxypiperidino]sulfonylbenzoate Formula: C15H18NO6S- MolecularWeight: 340.37152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H19NO6S/c1-2-22-15(19)12-4-3-9-16(10-12)23(20,21)13-7-5-11(6-8-13)14(17)18/h5-8,12H,2-4,9-10H2,1H3,(H,17,18)/p-1/t12-/m0/s1