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

Systemtic Name: 3-cyanopropyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: 3-cyanopropyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid 3-cyanopropyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCCCC#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCCCC#N

InChI

InChI=1S/C18H24N2O4S/c19-12-2-5-15-24-18(21)11-8-16-6-9-17(10-7-16)25(22,23)20-13-3-1-4-14-20/h6-7,9-10H,1-5,8,11,13-15H2