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

Systemtic Name: (4-cyanophenyl) 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: (4-cyanophenyl) 4-methoxy-3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-methoxy-3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-methoxy-3-[(2S)-2-methylpiperidino]sulfonyl-benzoic acid (4-cyanophenyl) ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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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#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-15-5-3-4-12-23(15)29(25,26)20-13-17(8-11-19(20)27-2)21(24)28-18-9-6-16(14-22)7-10-18/h6-11,13,15H,3-5,12H2,1-2H3/t15-/m0/s1