1-cyanoethyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: 1-cyanoethyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: 1-cyanoethyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid 1-cyanoethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C#N)OC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C17H22N2O4S/c1-14(13-18)23-17(20)10-7-15-5-8-16(9-6-15)24(21,22)19-11-3-2-4-12-19/h5-6,8-9,14H,2-4,7,10-12H2,1H3