1-cyanoethyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: 1-cyanoethyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: 1-cyanoethyl 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid 1-cyanoethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C#N)OC(=O)CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C16H20N2O4S/c1-13(12-17)22-16(19)11-14-5-7-15(8-6-14)23(20,21)18-9-3-2-4-10-18/h5-8,13H,2-4,9-11H2,1H3