1,3-benzodioxol-5-yl 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: 1,3-benzodioxol-5-yl 4-methoxy-3-[[(2R)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-methoxy-3-[[(2R)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-methoxy-3-[(2R)-2-methylpiperidino]sulfonyl-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

C[C@@H]1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H23NO7S/c1-14-5-3-4-10-22(14)30(24,25)20-11-15(6-8-18(20)26-2)21(23)29-16-7-9-17-19(12-16)28-13-27-17/h6-9,11-12,14H,3-5,10,13H2,1-2H3/t14-/m1/s1