(3-cyanophenyl)methyl 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (3-cyanophenyl)methyl 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (3-cyanophenyl)methyl 4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(2S)-2-methylpiperidino]sulfonylbenzoic acid (3-cyanobenzyl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-16-5-2-3-12-23(16)28(25,26)20-10-8-19(9-11-20)21(24)27-15-18-7-4-6-17(13-18)14-22/h4,6-11,13,16H,2-3,5,12,15H2,1H3/t16-/m0/s1