cyanomethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: cyanomethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: cyanomethyl 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid cyanomethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC#N)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC#N)C

InChI

InChI=1S/C16H20N2O4S/c1-12-9-13(2)11-18(10-12)23(20,21)15-5-3-14(4-6-15)16(19)22-8-7-17/h3-6,12-13H,8-11H2,1-2H3