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

Systemtic Name: (2-methoxyphenyl) 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: (2-methoxyphenyl) 4-methoxy-3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-methoxy-3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid (2-methoxyphenyl) ester IUPAC Name: (2-methoxyphenyl) 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-methoxy-3-[(2S)-2-methylpiperidino]sulfonyl-benzoic acid (2-methoxyphenyl) ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC=C3OC)OC

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC=C3OC)OC

InChI

InChI=1S/C21H25NO6S/c1-15-8-6-7-13-22(15)29(24,25)20-14-16(11-12-19(20)27-3)21(23)28-18-10-5-4-9-17(18)26-2/h4-5,9-12,14-15H,6-8,13H2,1-3H3/t15-/m0/s1