(4-cyano-2-methoxy-phenyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (4-cyano-2-methoxy-phenyl) 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid (4-cyano-2-methoxy-phenyl) ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=C(C=C(C=C3)C#N)OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=C(C=C(C=C3)C#N)OC)C

InChI

InChI=1S/C22H24N2O5S/c1-15-9-16(2)14-24(13-15)30(26,27)19-6-4-5-18(11-19)22(25)29-20-8-7-17(12-23)10-21(20)28-3/h4-8,10-11,15-16H,9,13-14H2,1-3H3