3-cyanopropyl 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: 3-cyanopropyl 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: 3-cyanopropyl 4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidino]sulfonylbenzoic acid 3-cyanopropyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCC#N)C

InChI

InChI=1S/C18H24N2O4S/c1-14-11-15(2)13-20(12-14)25(22,23)17-7-5-16(6-8-17)18(21)24-10-4-3-9-19/h5-8,14-15H,3-4,10-13H2,1-2H3/t14-,15-/m0/s1