pyridin-2-ylmethyl 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-benzoate

Systemtic Name: pyridin-2-ylmethyl 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-benzoate Openeye Name: 2-pyridylmethyl 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]-4-methoxy-benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-4-methoxybenzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonyl-4-methoxy-benzoic acid 2-pyridylmethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=N3)OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=N3)OC)C

InChI

InChI=1S/C21H26N2O5S/c1-15-10-16(2)13-23(12-15)29(25,26)20-11-17(7-8-19(20)27-3)21(24)28-14-18-6-4-5-9-22-18/h4-9,11,15-16H,10,12-14H2,1-3H3