(phenylmethyl) 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: (phenylmethyl) 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: benzyl 4-methoxy-3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-methoxy-3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-methoxy-3-[(2S)-2-methylpiperidino]sulfonyl-benzoic acid benzyl 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)OCC3=CC=CC=C3)OC

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H25NO5S/c1-16-8-6-7-13-22(16)28(24,25)20-14-18(11-12-19(20)26-2)21(23)27-15-17-9-4-3-5-10-17/h3-5,9-12,14,16H,6-8,13,15H2,1-2H3/t16-/m0/s1