cyanomethyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: cyanomethyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: cyanomethyl 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid cyanomethyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4S/c1-12-5-2-3-9-17(12)22(19,20)14-7-4-6-13(11-14)15(18)21-10-8-16/h4,6-7,11-12H,2-3,5,9-10H2,1H3/t12-/m0/s1