3-cyanopropyl 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-benzoate

Systemtic Name: 3-cyanopropyl 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-benzoate Openeye Name: 3-cyanopropyl 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]-4-methoxy-benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-4-methoxybenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonyl-4-methoxy-benzoic acid 3-cyanopropyl ester Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5S/c1-14-10-15(2)13-21(12-14)27(23,24)18-11-16(6-7-17(18)25-3)19(22)26-9-5-4-8-20/h6-7,11,14-15H,4-5,9-10,12-13H2,1-3H3