(4-methylphenyl) 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: (4-methylphenyl) 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: p-tolyl 4-methoxy-3-[[(2R)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-methoxy-3-[[(2R)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-methoxy-3-[(2R)-2-methylpiperidino]sulfonyl-benzoic acid p-tolyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-15-7-10-18(11-8-15)27-21(23)17-9-12-19(26-3)20(14-17)28(24,25)22-13-5-4-6-16(22)2/h7-12,14,16H,4-6,13H2,1-3H3/t16-/m1/s1